CID 475811

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

Structural Information

Molecular Formula
C23H26ClN3O3S
SMILES
CC(C)(CCl)C(=O)NC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC3=C2C=CC=C3N(C)C
InChI
InChI=1S/C23H26ClN3O3S/c1-23(2,15-24)22(28)25-16-11-13-17(14-12-16)26-31(29,30)21-10-6-7-18-19(21)8-5-9-20(18)27(3)4/h5-14,26H,15H2,1-4H3,(H,25,28)
InChIKey
YYGZVSGCEJLOLK-UHFFFAOYSA-N
Compound name
3-chloro-N-[4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]phenyl]-2,2-dimethylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

459.13834 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 460.14562 207.4
[M+Na]+ 482.12756 212.8
[M-H]- 458.13106 215.6
[M+NH4]+ 477.17216 217.8
[M+K]+ 498.10150 207.6
[M+H-H2O]+ 442.13560 199.4
[M+HCOO]- 504.13654 219.1
[M+CH3COO]- 518.15219 240.4
[M+Na-2H]- 480.11301 211.9
[M]+ 459.13779 213.7
[M]- 459.13889 213.7
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

patents stripe