CID 43420663

N-(cyclopropylmethyl)-1h-1,3-benzodiazole-5-carboxamide

Structural Information

Molecular Formula
C12H13N3O
SMILES
C1CC1CNC(=O)C2=CC3=C(C=C2)N=CN3
InChI
InChI=1S/C12H13N3O/c16-12(13-6-8-1-2-8)9-3-4-10-11(5-9)15-7-14-10/h3-5,7-8H,1-2,6H2,(H,13,16)(H,14,15)
InChIKey
MKHZUGOKPRLJJG-UHFFFAOYSA-N
Compound name
N-(cyclopropylmethyl)-3H-benzimidazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.10587 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.11315 149.2
[M+Na]+ 238.09509 162.6
[M+NH4]+ 233.13969 157.6
[M+K]+ 254.06903 159.3
[M-H]- 214.09859 158.4
[M+Na-2H]- 236.08054 158.3
[M]+ 215.10532 154.7
[M]- 215.10642 154.7
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.