CID 3007518

Chembl27243

Structural Information

Molecular Formula
C18H24N2O
SMILES
CC(=C(C1=CC=CC=C1OCC(C)(C)C)N2C=CN=C2)C
InChI
InChI=1S/C18H24N2O/c1-14(2)17(20-11-10-19-13-20)15-8-6-7-9-16(15)21-12-18(3,4)5/h6-11,13H,12H2,1-5H3
InChIKey
ULGYICCRQDEBRL-UHFFFAOYSA-N
Compound name
1-[1-[2-(2,2-dimethylpropoxy)phenyl]-2-methylprop-1-enyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

284.18887 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.19615 171.2
[M+Na]+ 307.17809 177.2
[M-H]- 283.18159 175.1
[M+NH4]+ 302.22269 186.1
[M+K]+ 323.15203 173.7
[M+H-H2O]+ 267.18613 162.8
[M+HCOO]- 329.18707 189.3
[M+CH3COO]- 343.20272 202.2
[M+Na-2H]- 305.16354 172.3
[M]+ 284.18832 172.8
[M]- 284.18942 172.8
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

No patent data available for this compound.