CID 475816

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

Structural Information

Molecular Formula
C21H22N2O3S
SMILES
CC(C)(C)C(=O)NC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C21H22N2O3S/c1-21(2,3)20(24)22-16-11-13-17(14-12-16)23-27(25,26)19-10-6-8-15-7-4-5-9-18(15)19/h4-14,23H,1-3H3,(H,22,24)
InChIKey
MVAPFNTWQLRQEV-UHFFFAOYSA-N
Compound name
2,2-dimethyl-N-[4-(naphthalen-1-ylsulfonylamino)phenyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.1351 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.14238 189.2
[M+Na]+ 405.12432 195.1
[M-H]- 381.12782 196.3
[M+NH4]+ 400.16892 201.5
[M+K]+ 421.09826 190.0
[M+H-H2O]+ 365.13236 181.2
[M+HCOO]- 427.13330 204.8
[M+CH3COO]- 441.14895 220.9
[M+Na-2H]- 403.10977 195.5
[M]+ 382.13455 191.5
[M]- 382.13565 191.5
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

No patent data available for this compound.