CID 5387471

Nsc623908

Structural Information

Molecular Formula
C22H14Cl3N3O
SMILES
C1=CC=C(C=C1)C(=O)N/C(=C\C2=C(C=CC(=C2)Cl)Cl)/C3=NC4=C(N3)C=C(C=C4)Cl
InChI
InChI=1S/C22H14Cl3N3O/c23-15-6-8-17(25)14(10-15)11-20(28-22(29)13-4-2-1-3-5-13)21-26-18-9-7-16(24)12-19(18)27-21/h1-12H,(H,26,27)(H,28,29)/b20-11-
InChIKey
LHWCSOURZKUQKJ-JAIQZWGSSA-N
Compound name
N-[(Z)-1-(6-chloro-1H-benzimidazol-2-yl)-2-(2,5-dichlorophenyl)ethenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

441.02023 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.02751 199.0
[M+Na]+ 464.00945 208.8
[M-H]- 440.01295 204.1
[M+NH4]+ 459.05405 208.8
[M+K]+ 479.98339 198.7
[M+H-H2O]+ 424.01749 189.9
[M+HCOO]- 486.01843 204.1
[M+CH3COO]- 500.03408 207.0
[M+Na-2H]- 461.99490 199.0
[M]+ 441.01968 202.5
[M]- 441.02078 202.5
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.