CID 474020

178980-01-3

Structural Information

Molecular Formula
C14H16Cl2N2O2S
SMILES
CC(C)C1=C(N(C(=N1)CO)C)S(=O)C2=CC(=CC(=C2)Cl)Cl
InChI
InChI=1S/C14H16Cl2N2O2S/c1-8(2)13-14(18(3)12(7-19)17-13)21(20)11-5-9(15)4-10(16)6-11/h4-6,8,19H,7H2,1-3H3
InChIKey
RAMSDGDLLYSJTO-UHFFFAOYSA-N
Compound name
[5-(3,5-dichlorophenyl)sulfinyl-1-methyl-4-propan-2-ylimidazol-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

346.03094 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.03822 172.2
[M+Na]+ 369.02016 183.3
[M-H]- 345.02366 176.0
[M+NH4]+ 364.06476 186.8
[M+K]+ 384.99410 176.7
[M+H-H2O]+ 329.02820 166.7
[M+HCOO]- 391.02914 177.1
[M+CH3COO]- 405.04479 207.2
[M+Na-2H]- 367.00561 167.8
[M]+ 346.03039 179.3
[M]- 346.03149 179.3
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