CID 383667

Nsc672085

Structural Information

Molecular Formula
C23H22F3N3O6S
SMILES
CCOC(=O)C(C1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=NO2)C)C)(C(F)(F)F)NC(=O)C3=CC=CC=C3
InChI
InChI=1S/C23H22F3N3O6S/c1-4-34-21(31)22(23(24,25)26,27-19(30)16-8-6-5-7-9-16)17-10-12-18(13-11-17)36(32,33)29-20-14(2)15(3)28-35-20/h5-13,29H,4H2,1-3H3,(H,27,30)
InChIKey
WAIZHHOODAMWKP-UHFFFAOYSA-N
Compound name
ethyl 2-benzamido-2-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3,3,3-trifluoropropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

525.11816 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 526.12544 218.2
[M+Na]+ 548.10738 223.3
[M-H]- 524.11088 223.7
[M+NH4]+ 543.15198 222.2
[M+K]+ 564.08132 220.8
[M+H-H2O]+ 508.11542 207.2
[M+HCOO]- 570.11636 228.6
[M+CH3COO]- 584.13201 243.3
[M+Na-2H]- 546.09283 220.7
[M]+ 525.11761 220.9
[M]- 525.11871 220.9
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

No patent data available for this compound.