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

32
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 137.6
[M+Na]+ 195.08927 151.9
[M+NH4]+ 190.13387 146.5
[M+K]+ 211.06321 146.4
[M-H]- 171.09277 140.8
[M+Na-2H]- 193.07472 146.3
[M]+ 172.09950 140.6
[M]- 172.10060 140.6
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