CID 475814

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

Structural Information

Molecular Formula
C21H21ClN2O3S
SMILES
CC(C)(CCl)C(=O)NC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C21H21ClN2O3S/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
BGVNZWNJBCAKNW-UHFFFAOYSA-N
Compound name
3-chloro-2,2-dimethyl-N-[4-(naphthalen-1-ylsulfonylamino)phenyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

416.09613 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.10341 195.6
[M+Na]+ 439.08535 202.1
[M-H]- 415.08885 202.7
[M+NH4]+ 434.12995 207.4
[M+K]+ 455.05929 195.6
[M+H-H2O]+ 399.09339 188.3
[M+HCOO]- 461.09433 206.7
[M+CH3COO]- 475.10998 225.0
[M+Na-2H]- 437.07080 201.4
[M]+ 416.09558 200.3
[M]- 416.09668 200.3
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.