CID 473950

178979-31-2

Structural Information

Molecular Formula
C15H17Cl2N3O2S
SMILES
CC(C)C1=C(N(C(=N1)COC(=O)N)C)SC2=CC(=CC(=C2)Cl)Cl
InChI
InChI=1S/C15H17Cl2N3O2S/c1-8(2)13-14(20(3)12(19-13)7-22-15(18)21)23-11-5-9(16)4-10(17)6-11/h4-6,8H,7H2,1-3H3,(H2,18,21)
InChIKey
FWSITQNMHYTXQJ-UHFFFAOYSA-N
Compound name
[5-(3,5-dichlorophenyl)sulfanyl-1-methyl-4-propan-2-ylimidazol-2-yl]methyl carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

373.04184 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.04912 182.3
[M+Na]+ 396.03106 192.5
[M-H]- 372.03456 186.7
[M+NH4]+ 391.07566 195.8
[M+K]+ 412.00500 186.1
[M+H-H2O]+ 356.03910 176.0
[M+HCOO]- 418.04004 188.7
[M+CH3COO]- 432.05569 216.0
[M+Na-2H]- 394.01651 177.3
[M]+ 373.04129 189.8
[M]- 373.04239 189.8
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.