PubChemLite - 765281-31-0 (C28H23N3O5)

Structural Information

Molecular Formula

SMILES

CC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)/C=N/NC(=O)C(=O)NC3=CC=CC4=CC=CC=C43)OC

InChI

InChI=1S/C28H23N3O5/c1-18-10-13-21(14-11-18)28(34)36-24-15-12-19(16-25(24)35-2)17-29-31-27(33)26(32)30-23-9-5-7-20-6-3-4-8-22(20)23/h3-17H,1-2H3,(H,30,32)(H,31,33)/b29-17+

InChIKey

NEQFUKUAWCFGSU-STBIYBPSSA-N

Compound name

[2-methoxy-4-[(E)-[[2-(naphthalen-1-ylamino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-methylbenzoate

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]+	482.17104	215.5
[M+Na]+	504.15298	219.0
[M-H]-	480.15648	226.6
[M+NH4]+	499.19758	222.4
[M+K]+	520.12692	215.7
[M+H-H2O]+	464.16102	203.3
[M+HCOO]-	526.16196	238.6
[M+CH3COO]-	540.17761	246.9
[M+Na-2H]-	502.13843	217.9
[M]+	481.16321	218.3
[M]-	481.16431	218.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

482.17104

215.5

[M+Na]+

504.15298

219.0

[M-H]-

480.15648

226.6

[M+NH4]+

499.19758

222.4

[M+K]+

520.12692

215.7

[M+H-H2O]+

464.16102

203.3

[M+HCOO]-

526.16196

238.6

[M+CH3COO]-

540.17761

246.9

[M+Na-2H]-

502.13843

217.9

[M]+

481.16321

218.3

[M]-

481.16431

218.3

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

765281-31-0

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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