CID 69518556

N-benzyl-n-methyl-1h-imidazole-1-carboxamide

Structural Information

Molecular Formula
C12H13N3O
SMILES
CN(CC1=CC=CC=C1)C(=O)N2C=CN=C2
InChI
InChI=1S/C12H13N3O/c1-14(9-11-5-3-2-4-6-11)12(16)15-8-7-13-10-15/h2-8,10H,9H2,1H3
InChIKey
UTZFAEMMKSMAJS-UHFFFAOYSA-N
Compound name
N-benzyl-N-methylimidazole-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

215.10587 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.113146 147.6
[M+Na]+ 238.095088 154.4
[M-H]- 214.098594 153.1
[M+NH4]+ 233.139693 165.2
[M+K]+ 254.069028 152.7
[M+H-H2O]+ 198.103130 138.5
[M+HCOO]- 260.104071 171.9
[M+CH3COO]- 274.119721 190.3
[M+Na-2H]- 236.080536 152.8
[M]+ 215.10532142 148.3
[M]- 215.10641858 148.3
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