CID 474019

178980-00-2

Structural Information

Molecular Formula
C16H22N2O3S
SMILES
CC1=CC(=CC(=C1)S(=O)(=O)C2=C(N=C(N2C)CO)C(C)C)C
InChI
InChI=1S/C16H22N2O3S/c1-10(2)15-16(18(5)14(9-19)17-15)22(20,21)13-7-11(3)6-12(4)8-13/h6-8,10,19H,9H2,1-5H3
InChIKey
ODCOINHOONMDRD-UHFFFAOYSA-N
Compound name
[5-(3,5-dimethylphenyl)sulfonyl-1-methyl-4-propan-2-ylimidazol-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

322.1351 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.14238 174.7
[M+Na]+ 345.12432 184.9
[M-H]- 321.12782 179.0
[M+NH4]+ 340.16892 188.9
[M+K]+ 361.09826 180.3
[M+H-H2O]+ 305.13236 168.1
[M+HCOO]- 367.13330 188.3
[M+CH3COO]- 381.14895 206.2
[M+Na-2H]- 343.10977 172.3
[M]+ 322.13455 180.5
[M]- 322.13565 180.5
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.