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]+ 294.134936 165.6
[M+Na]+ 316.116878 173.5
[M-H]- 292.120384 170.8
[M+NH4]+ 311.161483 179.4
[M+K]+ 332.090818 168.5
[M+H-H2O]+ 276.124920 154.8
[M+HCOO]- 338.125861 190.5
[M+CH3COO]- 352.141511 176.9
[M+Na-2H]- 314.102326 173.9
[M]+ 293.12711142 167.9
[M]- 293.12820858 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.