CID 6297144

Nsc679198

Structural Information

Molecular Formula
C23H20N4O3
SMILES
COC1=CC=C(C=C1)/C(=N/NC2=NC3=CC=CC=C3N2CC4=CC=CC=C4)/C(=O)O
InChI
InChI=1S/C23H20N4O3/c1-30-18-13-11-17(12-14-18)21(22(28)29)25-26-23-24-19-9-5-6-10-20(19)27(23)15-16-7-3-2-4-8-16/h2-14H,15H2,1H3,(H,24,26)(H,28,29)/b25-21-
InChIKey
NUYWXJHDVSRKJI-DAFNUICNSA-N
Compound name
(2Z)-2-[(1-benzylbenzimidazol-2-yl)hydrazinylidene]-2-(4-methoxyphenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.15353 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.16081 193.2
[M+Na]+ 423.14275 199.5
[M-H]- 399.14625 201.7
[M+NH4]+ 418.18735 202.7
[M+K]+ 439.11669 194.0
[M+H-H2O]+ 383.15079 181.9
[M+HCOO]- 445.15173 215.9
[M+CH3COO]- 459.16738 202.5
[M+Na-2H]- 421.12820 197.4
[M]+ 400.15298 195.9
[M]- 400.15408 195.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.