CID 16202507

Dtxsid201343334

Structural Information

Molecular Formula
C14H19ClFN3O5S
SMILES
CCOC(=O)NC1=C(C=C(C(=C1)C(=O)NS(=O)(=O)N(C)C(C)C)Cl)F
InChI
InChI=1S/C14H19ClFN3O5S/c1-5-24-14(21)17-12-6-9(10(15)7-11(12)16)13(20)18-25(22,23)19(4)8(2)3/h6-8H,5H2,1-4H3,(H,17,21)(H,18,20)
InChIKey
RUNGZTOOIRQQTN-UHFFFAOYSA-N
Compound name
ethyl N-[4-chloro-2-fluoro-5-[[methyl(propan-2-yl)sulfamoyl]carbamoyl]phenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

18
Patents

395.0718 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.07908 183.9
[M+Na]+ 418.06102 189.6
[M-H]- 394.06452 187.7
[M+NH4]+ 413.10562 196.2
[M+K]+ 434.03496 187.3
[M+H-H2O]+ 378.06906 176.7
[M+HCOO]- 440.07000 196.5
[M+CH3COO]- 454.08565 226.6
[M+Na-2H]- 416.04647 182.8
[M]+ 395.07125 190.5
[M]- 395.07235 190.5
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