CID 474021

178980-02-4

Structural Information

Molecular Formula
C14H16Cl2N2O3S
SMILES
CC(C)C1=C(N(C(=N1)CO)C)S(=O)(=O)C2=CC(=CC(=C2)Cl)Cl
InChI
InChI=1S/C14H16Cl2N2O3S/c1-8(2)13-14(18(3)12(7-19)17-13)22(20,21)11-5-9(15)4-10(16)6-11/h4-6,8,19H,7H2,1-3H3
InChIKey
LZPGWPLAVRGRNU-UHFFFAOYSA-N
Compound name
[5-(3,5-dichlorophenyl)sulfonyl-1-methyl-4-propan-2-ylimidazol-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

362.02588 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.03316 177.2
[M+Na]+ 385.01510 188.8
[M-H]- 361.01860 181.3
[M+NH4]+ 380.05970 191.2
[M+K]+ 400.98904 182.4
[M+H-H2O]+ 345.02314 172.0
[M+HCOO]- 407.02408 181.9
[M+CH3COO]- 421.03973 208.1
[M+Na-2H]- 383.00055 174.8
[M]+ 362.02533 185.0
[M]- 362.02643 185.0
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.