CID 5387522

Nsc624425

Structural Information

Molecular Formula
C22H15Cl2N3O
SMILES
C1=CC=C(C=C1)C(=O)N/C(=C\C2=C(C=CC(=C2)Cl)Cl)/C3=NC4=CC=CC=C4N3
InChI
InChI=1S/C22H15Cl2N3O/c23-16-10-11-17(24)15(12-16)13-20(27-22(28)14-6-2-1-3-7-14)21-25-18-8-4-5-9-19(18)26-21/h1-13H,(H,25,26)(H,27,28)/b20-13-
InChIKey
JKNKWFNUDPQNQO-MOSHPQCFSA-N
Compound name
N-[(Z)-1-(1H-benzimidazol-2-yl)-2-(2,5-dichlorophenyl)ethenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.0592 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.06648 193.8
[M+Na]+ 430.04842 202.8
[M-H]- 406.05192 199.9
[M+NH4]+ 425.09302 204.4
[M+K]+ 446.02236 192.8
[M+H-H2O]+ 390.05646 184.2
[M+HCOO]- 452.05740 204.2
[M+CH3COO]- 466.07305 202.5
[M+Na-2H]- 428.03387 195.5
[M]+ 407.05865 196.3
[M]- 407.05975 196.3
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.