CID 473967

178979-48-1

Structural Information

Molecular Formula
C16H19F2N3O2S
SMILES
CCN1C(=NC(=C1SC2=CC(=CC(=C2)F)F)C(C)C)COC(=O)N
InChI
InChI=1S/C16H19F2N3O2S/c1-4-21-13(8-23-16(19)22)20-14(9(2)3)15(21)24-12-6-10(17)5-11(18)7-12/h5-7,9H,4,8H2,1-3H3,(H2,19,22)
InChIKey
ZJKKOGLHQPEORV-UHFFFAOYSA-N
Compound name
[5-(3,5-difluorophenyl)sulfanyl-1-ethyl-4-propan-2-ylimidazol-2-yl]methyl carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

355.1166 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.12388 180.0
[M+Na]+ 378.10582 189.2
[M-H]- 354.10932 182.1
[M+NH4]+ 373.15042 192.8
[M+K]+ 394.07976 184.0
[M+H-H2O]+ 338.11386 170.3
[M+HCOO]- 400.11480 193.6
[M+CH3COO]- 414.13045 216.7
[M+Na-2H]- 376.09127 174.5
[M]+ 355.11605 183.0
[M]- 355.11715 183.0
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