CID 9678360

N'-(2-br-3-ph-2-propenylidene)-2-(2-methyl-1h-benzimidazol-1-yl)acetohydrazide

Structural Information

Molecular Formula
C19H17BrN4O
SMILES
CC1=NC2=CC=CC=C2N1CC(=O)N/N=C/C(=C/C3=CC=CC=C3)/Br
InChI
InChI=1S/C19H17BrN4O/c1-14-22-17-9-5-6-10-18(17)24(14)13-19(25)23-21-12-16(20)11-15-7-3-2-4-8-15/h2-12H,13H2,1H3,(H,23,25)/b16-11-,21-12+
InChIKey
CBAPGTLVPXSYIB-OQBHSHHWSA-N
Compound name
N-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-(2-methylbenzimidazol-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.05856 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.06584 185.2
[M+Na]+ 419.04778 195.1
[M-H]- 395.05128 193.9
[M+NH4]+ 414.09238 200.2
[M+K]+ 435.02172 181.8
[M+H-H2O]+ 379.05582 181.4
[M+HCOO]- 441.05676 206.9
[M+CH3COO]- 455.07241 221.2
[M+Na-2H]- 417.03323 190.5
[M]+ 396.05801 205.4
[M]- 396.05911 205.4
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.