CID 5471206

Nsc709468

Structural Information

Molecular Formula
C24H16Cl2N2O2
SMILES
C1=CC=C2C(=C1)N=C(N2CC(=O)C3=CC=C(C=C3)Cl)C(=O)/C=C/C4=CC=C(C=C4)Cl
InChI
InChI=1S/C24H16Cl2N2O2/c25-18-10-5-16(6-11-18)7-14-22(29)24-27-20-3-1-2-4-21(20)28(24)15-23(30)17-8-12-19(26)13-9-17/h1-14H,15H2/b14-7+
InChIKey
SSVXHOFOEAMJAD-VGOFMYFVSA-N
Compound name
(E)-3-(4-chlorophenyl)-1-[1-[2-(4-chlorophenyl)-2-oxoethyl]benzimidazol-2-yl]prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

434.05887 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.06615 202.2
[M+Na]+ 457.04809 212.5
[M-H]- 433.05159 209.7
[M+NH4]+ 452.09269 212.7
[M+K]+ 473.02203 203.0
[M+H-H2O]+ 417.05613 191.9
[M+HCOO]- 479.05707 212.6
[M+CH3COO]- 493.07272 211.4
[M+Na-2H]- 455.03354 201.7
[M]+ 434.05832 208.6
[M]- 434.05942 208.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.