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

2
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.