CID 218260

Imidazole, 2,5-dimethyl-4-phenyl-, hydrochloride

Structural Information

Molecular Formula
C11H12N2
SMILES
CC1=C(N=C(N1)C)C2=CC=CC=C2
InChI
InChI=1S/C11H12N2/c1-8-11(13-9(2)12-8)10-6-4-3-5-7-10/h3-7H,1-2H3,(H,12,13)
InChIKey
LHKCCUVBNACJKH-UHFFFAOYSA-N
Compound name
2,5-dimethyl-4-phenyl-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

172.10005 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.10733 136.5
[M+Na]+ 195.08927 146.0
[M-H]- 171.09277 139.8
[M+NH4]+ 190.13387 155.6
[M+K]+ 211.06321 141.8
[M+H-H2O]+ 155.09731 129.1
[M+HCOO]- 217.09825 158.6
[M+CH3COO]- 231.11390 150.0
[M+Na-2H]- 193.07472 141.7
[M]+ 172.09950 135.3
[M]- 172.10060 135.3
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