CID 473968

178979-49-2

Structural Information

Molecular Formula
C15H18ClN3O2S
SMILES
CC(C)C1=C(N=C(N1C)COC(=O)N)SC2=CC(=CC=C2)Cl
InChI
InChI=1S/C15H18ClN3O2S/c1-9(2)13-14(22-11-6-4-5-10(16)7-11)18-12(19(13)3)8-21-15(17)20/h4-7,9H,8H2,1-3H3,(H2,17,20)
InChIKey
YYJKSRMNFPDIAX-UHFFFAOYSA-N
Compound name
[4-(3-chlorophenyl)sulfanyl-1-methyl-5-propan-2-ylimidazol-2-yl]methyl carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

339.0808 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.08808 177.3
[M+Na]+ 362.07002 186.6
[M-H]- 338.07352 182.0
[M+NH4]+ 357.11462 191.5
[M+K]+ 378.04396 181.1
[M+H-H2O]+ 322.07806 170.1
[M+HCOO]- 384.07900 188.8
[M+CH3COO]- 398.09465 210.7
[M+Na-2H]- 360.05547 173.6
[M]+ 339.08025 183.6
[M]- 339.08135 183.6
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