CID 475820

N-[4-(5-dimethylamino-naphthalene-1-sulfonylamino)-phenyl]-2,2-dimethyl-3-oxo-propionamide

Structural Information

Molecular Formula
C23H25N3O4S
SMILES
CC(C)(C=O)C(=O)NC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC3=C2C=CC=C3N(C)C
InChI
InChI=1S/C23H25N3O4S/c1-23(2,15-27)22(28)24-16-11-13-17(14-12-16)25-31(29,30)21-10-6-7-18-19(21)8-5-9-20(18)26(3)4/h5-15,25H,1-4H3,(H,24,28)
InChIKey
OSUYHTPXUWYSJH-UHFFFAOYSA-N
Compound name
N-[4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]phenyl]-2,2-dimethyl-3-oxopropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

439.1566 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.16388 202.8
[M+Na]+ 462.14582 207.4
[M-H]- 438.14932 210.8
[M+NH4]+ 457.19042 212.7
[M+K]+ 478.11976 203.8
[M+H-H2O]+ 422.15386 193.7
[M+HCOO]- 484.15480 219.2
[M+CH3COO]- 498.17045 238.5
[M+Na-2H]- 460.13127 208.0
[M]+ 439.15605 207.2
[M]- 439.15715 207.2
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.