CID 37548

Brn 0936122

Structural Information

Molecular Formula
C18H21N5O
SMILES
CCCC1=NC2=CC=CC=C2N1CNC3=CC=C(C=C3)C(=O)NN
InChI
InChI=1S/C18H21N5O/c1-2-5-17-21-15-6-3-4-7-16(15)23(17)12-20-14-10-8-13(9-11-14)18(24)22-19/h3-4,6-11,20H,2,5,12,19H2,1H3,(H,22,24)
InChIKey
VSBPVFWMFIDFJE-UHFFFAOYSA-N
Compound name
4-[(2-propylbenzimidazol-1-yl)methylamino]benzohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.17462 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.18190 174.9
[M+Na]+ 346.16384 182.1
[M-H]- 322.16734 180.1
[M+NH4]+ 341.20844 188.2
[M+K]+ 362.13778 176.5
[M+H-H2O]+ 306.17188 165.1
[M+HCOO]- 368.17282 199.2
[M+CH3COO]- 382.18847 216.0
[M+Na-2H]- 344.14929 180.0
[M]+ 323.17407 175.7
[M]- 323.17517 175.7
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.