CID 389159

Nsc684843

Structural Information

Molecular Formula
C13H16F3N3O5S
SMILES
CCOC(=O)C(C(F)(F)F)(NC1=CC=C(C=C1)S(=O)(=O)N)NC(=O)C
InChI
InChI=1S/C13H16F3N3O5S/c1-3-24-11(21)12(13(14,15)16,18-8(2)20)19-9-4-6-10(7-5-9)25(17,22)23/h4-7,19H,3H2,1-2H3,(H,18,20)(H2,17,22,23)
InChIKey
GKZSWWHNNZBILW-UHFFFAOYSA-N
Compound name
ethyl 2-acetamido-3,3,3-trifluoro-2-(4-sulfamoylanilino)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

383.07626 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.08354 178.3
[M+Na]+ 406.06548 182.8
[M-H]- 382.06898 176.8
[M+NH4]+ 401.11008 188.5
[M+K]+ 422.03942 180.3
[M+H-H2O]+ 366.07352 168.7
[M+HCOO]- 428.07446 190.3
[M+CH3COO]- 442.09011 219.2
[M+Na-2H]- 404.05093 181.5
[M]+ 383.07571 176.2
[M]- 383.07681 176.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.