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

38
Patents

215.10587 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.11315 147.6
[M+Na]+ 238.09509 154.4
[M-H]- 214.09859 153.1
[M+NH4]+ 233.13969 165.2
[M+K]+ 254.06903 152.7
[M+H-H2O]+ 198.10313 138.5
[M+HCOO]- 260.10407 171.9
[M+CH3COO]- 274.11972 190.3
[M+Na-2H]- 236.08054 152.8
[M]+ 215.10532 148.3
[M]- 215.10642 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