CID 5399780

3-(1h-benzimidazol-1-yl)-n'-[(e)-pyridin-3-ylmethylidene]propanehydrazide

Structural Information

Molecular Formula
C16H15N5O
SMILES
C1=CC=C2C(=C1)N=CN2CCC(=O)N/N=C\C3=CN=CC=C3
InChI
InChI=1S/C16H15N5O/c22-16(20-19-11-13-4-3-8-17-10-13)7-9-21-12-18-14-5-1-2-6-15(14)21/h1-6,8,10-12H,7,9H2,(H,20,22)/b19-11-
InChIKey
ZVYRCZDYIWQPQV-ODLFYWEKSA-N
Compound name
3-(benzimidazol-1-yl)-N-[(Z)-pyridin-3-ylmethylideneamino]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.12766 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.13494 165.6
[M+Na]+ 316.11688 173.5
[M-H]- 292.12038 170.8
[M+NH4]+ 311.16148 179.4
[M+K]+ 332.09082 168.5
[M+H-H2O]+ 276.12492 154.8
[M+HCOO]- 338.12586 190.5
[M+CH3COO]- 352.14151 176.9
[M+Na-2H]- 314.10233 173.9
[M]+ 293.12711 167.9
[M]- 293.12821 167.9
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.