CID 503929

Chembl551700

Structural Information

Molecular Formula
C11H13N3
SMILES
CC1=C(N(C=N1)NC2=CC=CC=C2)C
InChI
InChI=1S/C11H13N3/c1-9-10(2)14(8-12-9)13-11-6-4-3-5-7-11/h3-8,13H,1-2H3
InChIKey
MFDCGDVOOOUFQR-UHFFFAOYSA-N
Compound name
4,5-dimethyl-N-phenylimidazol-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

13
Patents

187.11095 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.11823 139.9
[M+Na]+ 210.10017 148.9
[M-H]- 186.10367 144.6
[M+NH4]+ 205.14477 158.8
[M+K]+ 226.07411 145.5
[M+H-H2O]+ 170.10821 131.7
[M+HCOO]- 232.10915 164.6
[M+CH3COO]- 246.12480 185.3
[M+Na-2H]- 208.08562 146.1
[M]+ 187.11040 139.9
[M]- 187.11150 139.9
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

No patent data available for this compound.