PubChemLite - 303104-07-6 (C23H27N5O2)

Structural Information

Molecular Formula

SMILES

CCN(CC)C1=CC=C(C=C1)/C=N/NC(=O)C2=C(C(=NN2)C3=CC=C(C=C3)OC)C

InChI

InChI=1S/C23H27N5O2/c1-5-28(6-2)19-11-7-17(8-12-19)15-24-27-23(29)22-16(3)21(25-26-22)18-9-13-20(30-4)14-10-18/h7-15H,5-6H2,1-4H3,(H,25,26)(H,27,29)/b24-15+

InChIKey

RHMQOMALNINHHC-BUVRLJJBSA-N

Compound name

N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-3-(4-methoxyphenyl)-4-methyl-1H-pyrazole-5-carboxamide

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]+	406.22374	200.1
[M+Na]+	428.20568	205.0
[M-H]-	404.20918	208.9
[M+NH4]+	423.25028	209.5
[M+K]+	444.17962	200.4
[M+H-H2O]+	388.21372	188.5
[M+HCOO]-	450.21466	224.2
[M+CH3COO]-	464.23031	235.0
[M+Na-2H]-	426.19113	200.5
[M]+	405.21591	202.9
[M]-	405.21701	202.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

406.22374

200.1

[M+Na]+

428.20568

205.0

[M-H]-

404.20918

208.9

[M+NH4]+

423.25028

209.5

[M+K]+

444.17962

200.4

[M+H-H2O]+

388.21372

188.5

[M+HCOO]-

450.21466

224.2

[M+CH3COO]-

464.23031

235.0

[M+Na-2H]-

426.19113

200.5

[M]+

405.21591

202.9

[M]-

405.21701

202.9

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

303104-07-6

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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