CID 37547

Brn 0933070

Structural Information

Molecular Formula
C17H19N5O
SMILES
CCC1=NC2=CC=CC=C2N1CNC3=CC=C(C=C3)C(=O)NN
InChI
InChI=1S/C17H19N5O/c1-2-16-20-14-5-3-4-6-15(14)22(16)11-19-13-9-7-12(8-10-13)17(23)21-18/h3-10,19H,2,11,18H2,1H3,(H,21,23)
InChIKey
FRYBTEYBUNNBCS-UHFFFAOYSA-N
Compound name
4-[(2-ethylbenzimidazol-1-yl)methylamino]benzohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.15897 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.166246 170.5
[M+Na]+ 332.148188 178.2
[M-H]- 308.151694 175.9
[M+NH4]+ 327.192793 184.4
[M+K]+ 348.122128 172.7
[M+H-H2O]+ 292.156230 160.9
[M+HCOO]- 354.157171 195.2
[M+CH3COO]- 368.172821 181.4
[M+Na-2H]- 330.133636 176.1
[M]+ 309.15842142 171.0
[M]- 309.15951858 171.0
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.