CID 135429951

N-(2-(4-(2-(benzoylamino)-2-(5-chloro-1h-benzimidazol-2-yl)vinyl)phenyl)-1-(6-chloro-1h-benzimidazol-2-yl)vinyl)benzamide

Structural Information

Molecular Formula
C38H26Cl2N6O2
SMILES
C1=CC=C(C=C1)C(=O)N/C(=C/C2=CC=C(C=C2)/C=C(/C3=NC4=C(N3)C=C(C=C4)Cl)\NC(=O)C5=CC=CC=C5)/C6=NC7=C(N6)C=CC(=C7)Cl
InChI
InChI=1S/C38H26Cl2N6O2/c39-27-15-17-29-31(21-27)43-35(41-29)33(45-37(47)25-7-3-1-4-8-25)19-23-11-13-24(14-12-23)20-34(46-38(48)26-9-5-2-6-10-26)36-42-30-18-16-28(40)22-32(30)44-36/h1-22H,(H,41,43)(H,42,44)(H,45,47)(H,46,48)/b33-19-,34-20+
InChIKey
LFNDAGSBDJYDPC-SMVCDFMASA-N
Compound name
N-[(E)-2-[4-[(Z)-2-benzamido-2-(6-chloro-1H-benzimidazol-2-yl)ethenyl]phenyl]-1-(5-chloro-1H-benzimidazol-2-yl)ethenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

668.1494 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 669.15668 243.6
[M+Na]+ 691.13862 248.4
[M-H]- 667.14212 253.3
[M+NH4]+ 686.18322 241.6
[M+K]+ 707.11256 237.7
[M+H-H2O]+ 651.14666 230.6
[M+HCOO]- 713.14760 248.2
[M+CH3COO]- 727.16325 246.5
[M+Na-2H]- 689.12407 241.7
[M]+ 668.14885 246.3
[M]- 668.14995 246.3
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.