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

3
Patents

215.10587 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.113146 148.1
[M+Na]+ 238.095088 158.3
[M-H]- 214.098594 152.8
[M+NH4]+ 233.139693 161.1
[M+K]+ 254.069028 152.3
[M+H-H2O]+ 198.103130 140.5
[M+HCOO]- 260.104071 170.6
[M+CH3COO]- 274.119721 160.1
[M+Na-2H]- 236.080536 154.5
[M]+ 215.10532142 150.0
[M]- 215.10641858 150.0
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

patents stripe