CID 514434

Schembl6159310

Structural Information

Molecular Formula
C14H16Cl2N2O2S
SMILES
CC(C)N1C(=C(N(C1=O)C)CO)SC2=CC(=CC(=C2)Cl)Cl
InChI
InChI=1S/C14H16Cl2N2O2S/c1-8(2)18-13(12(7-19)17(3)14(18)20)21-11-5-9(15)4-10(16)6-11/h4-6,8,19H,7H2,1-3H3
InChIKey
USNIDRLIIXNZLH-UHFFFAOYSA-N
Compound name
4-(3,5-dichlorophenyl)sulfanyl-5-(hydroxymethyl)-1-methyl-3-propan-2-ylimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

346.03094 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.03822 173.0
[M+Na]+ 369.02016 185.2
[M-H]- 345.02366 177.0
[M+NH4]+ 364.06476 188.0
[M+K]+ 384.99410 178.2
[M+H-H2O]+ 329.02820 167.6
[M+HCOO]- 391.02914 178.8
[M+CH3COO]- 405.04479 207.6
[M+Na-2H]- 367.00561 168.8
[M]+ 346.03039 181.0
[M]- 346.03149 181.0
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.