CID 475815

Zinc02007691

Structural Information

Molecular Formula
C21H21FN2O3S
SMILES
CC(C)(CF)C(=O)NC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C21H21FN2O3S/c1-21(2,14-22)20(25)23-16-10-12-17(13-11-16)24-28(26,27)19-9-5-7-15-6-3-4-8-18(15)19/h3-13,24H,14H2,1-2H3,(H,23,25)
InChIKey
URQLOQNVOZMRFH-UHFFFAOYSA-N
Compound name
3-fluoro-2,2-dimethyl-N-[4-(naphthalen-1-ylsulfonylamino)phenyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.1257 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.13298 191.7
[M+Na]+ 423.11492 197.5
[M-H]- 399.11842 197.2
[M+NH4]+ 418.15952 203.1
[M+K]+ 439.08886 191.9
[M+H-H2O]+ 383.12296 182.6
[M+HCOO]- 445.12390 206.2
[M+CH3COO]- 459.13955 224.2
[M+Na-2H]- 421.10037 197.4
[M]+ 400.12515 193.0
[M]- 400.12625 193.0
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

No patent data available for this compound.