CID 53610

N-((4-sec-butylbenzoyl)methyl)imidazole hydrochloride

Structural Information

Molecular Formula
C15H18N2O
SMILES
CCC(C)C1=CC=C(C=C1)C(=O)CN2C=CN=C2
InChI
InChI=1S/C15H18N2O/c1-3-12(2)13-4-6-14(7-5-13)15(18)10-17-9-8-16-11-17/h4-9,11-12H,3,10H2,1-2H3
InChIKey
OOXCESFTNOWERX-UHFFFAOYSA-N
Compound name
1-(4-butan-2-ylphenyl)-2-imidazol-1-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

242.1419 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.14918 157.6
[M+Na]+ 265.13112 170.1
[M+NH4]+ 260.17572 165.0
[M+K]+ 281.10506 165.2
[M-H]- 241.13462 159.9
[M+Na-2H]- 263.11657 164.7
[M]+ 242.14135 159.9
[M]- 242.14245 159.9
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.