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]+ 324.181896 174.9
[M+Na]+ 346.163838 182.1
[M-H]- 322.167344 180.1
[M+NH4]+ 341.208443 188.2
[M+K]+ 362.137778 176.5
[M+H-H2O]+ 306.171880 165.1
[M+HCOO]- 368.172821 199.2
[M+CH3COO]- 382.188471 216.0
[M+Na-2H]- 344.149286 180.0
[M]+ 323.17407142 175.7
[M]- 323.17516858 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.