CID 5387545

Nsc624451

Structural Information

Molecular Formula
C25H23N3O
SMILES
CC(C)C1=CC=C(C=C1)/C=C(/C2=NC3=CC=CC=C3N2)\NC(=O)C4=CC=CC=C4
InChI
InChI=1S/C25H23N3O/c1-17(2)19-14-12-18(13-15-19)16-23(28-25(29)20-8-4-3-5-9-20)24-26-21-10-6-7-11-22(21)27-24/h3-17H,1-2H3,(H,26,27)(H,28,29)/b23-16-
InChIKey
CBILBBPCEMGOCS-KQWNVCNZSA-N
Compound name
N-[(Z)-1-(1H-benzimidazol-2-yl)-2-(4-propan-2-ylphenyl)ethenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.1841 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.19138 193.8
[M+Na]+ 404.17332 199.0
[M-H]- 380.17682 200.4
[M+NH4]+ 399.21792 203.7
[M+K]+ 420.14726 191.2
[M+H-H2O]+ 364.18136 183.2
[M+HCOO]- 426.18230 212.0
[M+CH3COO]- 440.19795 202.0
[M+Na-2H]- 402.15877 195.1
[M]+ 381.18355 192.2
[M]- 381.18465 192.2
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.