CID 475817

3-hydroxy-2,2-dimethyl-n-[4-(1-naphthylsulfonylamino)phenyl]propanamide

Structural Information

Molecular Formula
C21H22N2O4S
SMILES
CC(C)(CO)C(=O)NC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C21H22N2O4S/c1-21(2,14-24)20(25)22-16-10-12-17(13-11-16)23-28(26,27)19-9-5-7-15-6-3-4-8-18(15)19/h3-13,23-24H,14H2,1-2H3,(H,22,25)
InChIKey
VWZSLAVKHBMPFY-UHFFFAOYSA-N
Compound name
3-hydroxy-2,2-dimethyl-N-[4-(naphthalen-1-ylsulfonylamino)phenyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.13004 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.13732 191.3
[M+Na]+ 421.11926 196.3
[M-H]- 397.12276 196.8
[M+NH4]+ 416.16386 201.9
[M+K]+ 437.09320 191.2
[M+H-H2O]+ 381.12730 183.3
[M+HCOO]- 443.12824 205.5
[M+CH3COO]- 457.14389 221.6
[M+Na-2H]- 419.10471 197.7
[M]+ 398.12949 193.2
[M]- 398.13059 193.2
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.