CID 503931

Chembl569150

Structural Information

Molecular Formula
C12H15N3
SMILES
CC1=CC(=CC=C1)NN2C=NC(=C2C)C
InChI
InChI=1S/C12H15N3/c1-9-5-4-6-12(7-9)14-15-8-13-10(2)11(15)3/h4-8,14H,1-3H3
InChIKey
AJTGSRYEEOCCCX-UHFFFAOYSA-N
Compound name
4,5-dimethyl-N-(3-methylphenyl)imidazol-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

8
Patents

201.1266 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.13388 144.6
[M+Na]+ 224.11582 154.1
[M-H]- 200.11932 149.6
[M+NH4]+ 219.16042 163.3
[M+K]+ 240.08976 150.5
[M+H-H2O]+ 184.12386 136.6
[M+HCOO]- 246.12480 169.0
[M+CH3COO]- 260.14045 189.5
[M+Na-2H]- 222.10127 149.6
[M]+ 201.12605 145.4
[M]- 201.12715 145.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe