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

2
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 148.1
[M+Na]+ 238.09509 158.3
[M-H]- 214.09859 152.8
[M+NH4]+ 233.13969 161.1
[M+K]+ 254.06903 152.3
[M+H-H2O]+ 198.10313 140.5
[M+HCOO]- 260.10407 170.6
[M+CH3COO]- 274.11972 160.1
[M+Na-2H]- 236.08054 154.5
[M]+ 215.10532 150.0
[M]- 215.10642 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