CID 12526523

2-amino-n-butyl-1h-benzimidazole-1-carboxamide

Structural Information

Molecular Formula
C12H16N4O
SMILES
CCCCNC(=O)N1C2=CC=CC=C2N=C1N
InChI
InChI=1S/C12H16N4O/c1-2-3-8-14-12(17)16-10-7-5-4-6-9(10)15-11(16)13/h4-7H,2-3,8H2,1H3,(H2,13,15)(H,14,17)
InChIKey
DSDZHTUETZFTFG-UHFFFAOYSA-N
Compound name
2-amino-N-butylbenzimidazole-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

232.13242 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.13970 152.1
[M+Na]+ 255.12164 160.8
[M-H]- 231.12514 154.2
[M+NH4]+ 250.16624 169.9
[M+K]+ 271.09558 157.1
[M+H-H2O]+ 215.12968 144.2
[M+HCOO]- 277.13062 176.1
[M+CH3COO]- 291.14627 195.1
[M+Na-2H]- 253.10709 157.7
[M]+ 232.13187 153.4
[M]- 232.13297 153.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe