CID 6477104

Nsc636792

Structural Information

Molecular Formula
C24H21ClN4O
SMILES
CN(C)C1=CC=C(C=C1)/C=C(/C2=NC3=C(N2)C=C(C=C3)Cl)\NC(=O)C4=CC=CC=C4
InChI
InChI=1S/C24H21ClN4O/c1-29(2)19-11-8-16(9-12-19)14-22(28-24(30)17-6-4-3-5-7-17)23-26-20-13-10-18(25)15-21(20)27-23/h3-15H,1-2H3,(H,26,27)(H,28,30)/b22-14-
InChIKey
QIURFMPQSWEFHB-HMAPJEAMSA-N
Compound name
N-[(Z)-1-(6-chloro-1H-benzimidazol-2-yl)-2-[4-(dimethylamino)phenyl]ethenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

416.14038 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.14766 200.2
[M+Na]+ 439.12960 207.1
[M-H]- 415.13310 208.3
[M+NH4]+ 434.17420 210.2
[M+K]+ 455.10354 199.0
[M+H-H2O]+ 399.13764 189.6
[M+HCOO]- 461.13858 216.6
[M+CH3COO]- 475.15423 208.8
[M+Na-2H]- 437.11505 201.8
[M]+ 416.13983 202.5
[M]- 416.14093 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.