CID 3055621

1h-imidazole, 4,5-dihydro-2-((4-chloro-2,3,5,6-tetramethylphenyl)methyl)-, monohydrochloride

Structural Information

Molecular Formula
C14H19ClN2
SMILES
CC1=C(C(=C(C(=C1CC2=NCCN2)C)C)Cl)C
InChI
InChI=1S/C14H19ClN2/c1-8-10(3)14(15)11(4)9(2)12(8)7-13-16-5-6-17-13/h5-7H2,1-4H3,(H,16,17)
InChIKey
IIUPXLYOWUWVJH-UHFFFAOYSA-N
Compound name
2-[(4-chloro-2,3,5,6-tetramethylphenyl)methyl]-4,5-dihydro-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.12367 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.13095 158.7
[M+Na]+ 273.11289 169.3
[M-H]- 249.11639 161.9
[M+NH4]+ 268.15749 176.3
[M+K]+ 289.08683 162.8
[M+H-H2O]+ 233.12093 151.8
[M+HCOO]- 295.12187 173.5
[M+CH3COO]- 309.13752 194.5
[M+Na-2H]- 271.09834 158.5
[M]+ 250.12312 160.1
[M]- 250.12422 160.1
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.