CID 37544

36837-45-3

Structural Information

Molecular Formula
C15H15N5O
SMILES
C1=CC=C2C(=C1)N=CN2CNC3=CC=C(C=C3)C(=O)NN
InChI
InChI=1S/C15H15N5O/c16-19-15(21)11-5-7-12(8-6-11)17-9-20-10-18-13-3-1-2-4-14(13)20/h1-8,10,17H,9,16H2,(H,19,21)
InChIKey
GQURSSJLUKANDK-UHFFFAOYSA-N
Compound name
4-(benzimidazol-1-ylmethylamino)benzohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.12766 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.13494 160.2
[M+Na]+ 304.11688 167.9
[M-H]- 280.12038 165.6
[M+NH4]+ 299.16148 174.9
[M+K]+ 320.09082 162.9
[M+H-H2O]+ 264.12492 150.8
[M+HCOO]- 326.12586 185.6
[M+CH3COO]- 340.14151 171.7
[M+Na-2H]- 302.10233 167.7
[M]+ 281.12711 159.6
[M]- 281.12821 159.6
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.