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 185.8
[M+Na]+ 419.04778 189.0
[M+NH4]+ 414.09238 188.9
[M+K]+ 435.02172 188.7
[M-H]- 395.05128 187.9
[M+Na-2H]- 417.03323 189.7
[M]+ 396.05801 185.5
[M]- 396.05911 185.5
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.