CID 5387544

Nsc624450

Structural Information

Molecular Formula
C23H18ClN3O2
SMILES
COC1=CC=CC=C1/C=C(/C2=NC3=C(N2)C=C(C=C3)Cl)\NC(=O)C4=CC=CC=C4
InChI
InChI=1S/C23H18ClN3O2/c1-29-21-10-6-5-9-16(21)13-20(27-23(28)15-7-3-2-4-8-15)22-25-18-12-11-17(24)14-19(18)26-22/h2-14H,1H3,(H,25,26)(H,27,28)/b20-13-
InChIKey
JJEGKEGLGMYUDF-MOSHPQCFSA-N
Compound name
N-[(Z)-1-(6-chloro-1H-benzimidazol-2-yl)-2-(2-methoxyphenyl)ethenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

403.10876 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.11604 195.2
[M+Na]+ 426.09798 203.2
[M-H]- 402.10148 202.2
[M+NH4]+ 421.14258 205.4
[M+K]+ 442.07192 194.6
[M+H-H2O]+ 386.10602 185.0
[M+HCOO]- 448.10696 210.6
[M+CH3COO]- 462.12261 204.2
[M+Na-2H]- 424.08343 197.4
[M]+ 403.10821 197.8
[M]- 403.10931 197.8
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.