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 152.0
[M+Na]+ 255.12164 162.8
[M+NH4]+ 250.16624 158.9
[M+K]+ 271.09558 158.9
[M-H]- 231.12514 153.4
[M+Na-2H]- 253.10709 157.1
[M]+ 232.13187 153.6
[M]- 232.13297 153.6
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

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