CID 474014

178979-95-8

Structural Information

Molecular Formula
C15H19ClN2O
SMILES
CC(C)C1=C(N(C(=N1)CO)C)CC2=CC(=CC=C2)Cl
InChI
InChI=1S/C15H19ClN2O/c1-10(2)15-13(18(3)14(9-19)17-15)8-11-5-4-6-12(16)7-11/h4-7,10,19H,8-9H2,1-3H3
InChIKey
IQWXUDXSXROYCG-UHFFFAOYSA-N
Compound name
[5-[(3-chlorophenyl)methyl]-1-methyl-4-propan-2-ylimidazol-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

278.1186 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.12588 164.5
[M+Na]+ 301.10782 174.3
[M-H]- 277.11132 167.7
[M+NH4]+ 296.15242 180.5
[M+K]+ 317.08176 168.4
[M+H-H2O]+ 261.11586 157.1
[M+HCOO]- 323.11680 179.7
[M+CH3COO]- 337.13245 198.9
[M+Na-2H]- 299.09327 164.3
[M]+ 278.11805 168.2
[M]- 278.11915 168.2
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

patents stripe