CID 9649434

2-(2-methyl-1h-benzimidazol-1-yl)-n'-(4-nitrobenzylidene)acetohydrazide

Structural Information

Molecular Formula
C17H15N5O3
SMILES
CC1=NC2=CC=CC=C2N1CC(=O)N/N=C/C3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C17H15N5O3/c1-12-19-15-4-2-3-5-16(15)21(12)11-17(23)20-18-10-13-6-8-14(9-7-13)22(24)25/h2-10H,11H2,1H3,(H,20,23)/b18-10+
InChIKey
BKKVITMHNVRZJW-VCHYOVAHSA-N
Compound name
2-(2-methylbenzimidazol-1-yl)-N-[(E)-(4-nitrophenyl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.1175 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.12478 174.9
[M+Na]+ 360.10672 181.6
[M-H]- 336.11022 182.0
[M+NH4]+ 355.15132 187.4
[M+K]+ 376.08066 173.2
[M+H-H2O]+ 320.11476 169.2
[M+HCOO]- 382.11570 201.4
[M+CH3COO]- 396.13135 210.5
[M+Na-2H]- 358.09217 183.2
[M]+ 337.11695 176.1
[M]- 337.11805 176.1
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.