CID 475813

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

Structural Information

Molecular Formula
C23H27N3O3S
SMILES
CC(C)(C)C(=O)NC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC3=C2C=CC=C3N(C)C
InChI
InChI=1S/C23H27N3O3S/c1-23(2,3)22(27)24-16-12-14-17(15-13-16)25-30(28,29)21-11-7-8-18-19(21)9-6-10-20(18)26(4)5/h6-15,25H,1-5H3,(H,24,27)
InChIKey
GRRFCCRLRCTOTP-UHFFFAOYSA-N
Compound name
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

425.1773 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.18458 200.7
[M+Na]+ 448.16652 205.5
[M-H]- 424.17002 208.9
[M+NH4]+ 443.21112 211.6
[M+K]+ 464.14046 201.8
[M+H-H2O]+ 408.17456 191.9
[M+HCOO]- 470.17550 216.9
[M+CH3COO]- 484.19115 236.4
[M+Na-2H]- 446.15197 205.6
[M]+ 425.17675 204.5
[M]- 425.17785 204.5
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

patents stripe