PubChemLite - 2-pyridinecarbohydrazonamide, n'-[(1e)-[6-methoxy-3'-[(4-methylphenyl)methoxy][1,1'-biphenyl]-3-yl]methylene]- (C28H26N4O2)

Structural Information

Molecular Formula

SMILES

CC1=CC=C(C=C1)COC2=CC=CC(=C2)C3=C(C=CC(=C3)/C=N/N=C(/C4=CC=CC=N4)\N)OC

InChI

InChI=1S/C28H26N4O2/c1-20-9-11-21(12-10-20)19-34-24-7-5-6-23(17-24)25-16-22(13-14-27(25)33-2)18-31-32-28(29)26-8-3-4-15-30-26/h3-18H,19H2,1-2H3,(H2,29,32)/b31-18+

InChIKey

AGXFNFBSBYVXDG-FDAWAROLSA-N

Compound name

N'-[(E)-[4-methoxy-3-[3-[(4-methylphenyl)methoxy]phenyl]phenyl]methylideneamino]pyridine-2-carboximidamide

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	451.21285	213.2
[M+Na]+	473.19479	217.9
[M-H]-	449.19829	225.9
[M+NH4]+	468.23939	219.6
[M+K]+	489.16873	211.7
[M+H-H2O]+	433.20283	199.2
[M+HCOO]-	495.20377	238.5
[M+CH3COO]-	509.21942	244.1
[M+Na-2H]-	471.18024	216.1
[M]+	450.20502	214.5
[M]-	450.20612	214.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

451.21285

213.2

[M+Na]+

473.19479

217.9

[M-H]-

449.19829

225.9

[M+NH4]+

468.23939

219.6

[M+K]+

489.16873

211.7

[M+H-H2O]+

433.20283

199.2

[M+HCOO]-

495.20377

238.5

[M+CH3COO]-

509.21942

244.1

[M+Na-2H]-

471.18024

216.1

[M]+

450.20502

214.5

[M]-

450.20612

214.5

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

2-pyridinecarbohydrazonamide, n'-[(1e)-[6-methoxy-3'-[(4-methylphenyl)methoxy][1,1'-biphenyl]-3-yl]methylene]-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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