CID 474027

178980-08-0

Structural Information

Molecular Formula
C15H17Cl2N3O3S
SMILES
CC(C)C1=C(N(C(=N1)COC(=O)N)C)S(=O)C2=CC(=CC(=C2)Cl)Cl
InChI
InChI=1S/C15H17Cl2N3O3S/c1-8(2)13-14(20(3)12(19-13)7-23-15(18)21)24(22)11-5-9(16)4-10(17)6-11/h4-6,8H,7H2,1-3H3,(H2,18,21)
InChIKey
SCPPABLKLUNTHN-UHFFFAOYSA-N
Compound name
[5-(3,5-dichlorophenyl)sulfinyl-1-methyl-4-propan-2-ylimidazol-2-yl]methyl carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

389.03677 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.04405 183.6
[M+Na]+ 412.02599 193.4
[M-H]- 388.02949 188.3
[M+NH4]+ 407.07059 196.3
[M+K]+ 427.99993 187.7
[M+H-H2O]+ 372.03403 177.6
[M+HCOO]- 434.03497 189.5
[M+CH3COO]- 448.05062 218.4
[M+Na-2H]- 410.01144 178.1
[M]+ 389.03622 191.4
[M]- 389.03732 191.4
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.