CID 473965

178979-46-9

Structural Information

Molecular Formula
C15H16Cl2FN3O2S
SMILES
CC(C)C1=C(N(C(=N1)COC(=O)N)CF)SC2=CC(=CC(=C2)Cl)Cl
InChI
InChI=1S/C15H16Cl2FN3O2S/c1-8(2)13-14(24-11-4-9(16)3-10(17)5-11)21(7-18)12(20-13)6-23-15(19)22/h3-5,8H,6-7H2,1-2H3,(H2,19,22)
InChIKey
BPUWSEBIEIWYMN-UHFFFAOYSA-N
Compound name
[5-(3,5-dichlorophenyl)sulfanyl-1-(fluoromethyl)-4-propan-2-ylimidazol-2-yl]methyl carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

391.03244 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.03972 183.4
[M+Na]+ 414.02166 193.5
[M-H]- 390.02516 186.3
[M+NH4]+ 409.06626 196.1
[M+K]+ 429.99560 186.7
[M+H-H2O]+ 374.02970 176.1
[M+HCOO]- 436.03064 188.8
[M+CH3COO]- 450.04629 218.6
[M+Na-2H]- 412.00711 178.0
[M]+ 391.03189 190.0
[M]- 391.03299 190.0
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

patents stripe