CID 475812

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

Structural Information

Molecular Formula
C23H26FN3O3S
SMILES
CC(C)(CF)C(=O)NC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC3=C2C=CC=C3N(C)C
InChI
InChI=1S/C23H26FN3O3S/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
CNIALRUEXSLLMN-UHFFFAOYSA-N
Compound name
N-[4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]phenyl]-3-fluoro-2,2-dimethylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

443.16788 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.17516 203.4
[M+Na]+ 466.15710 208.0
[M-H]- 442.16060 210.0
[M+NH4]+ 461.20170 213.3
[M+K]+ 482.13104 203.8
[M+H-H2O]+ 426.16514 193.4
[M+HCOO]- 488.16608 218.4
[M+CH3COO]- 502.18173 239.6
[M+Na-2H]- 464.14255 207.7
[M]+ 443.16733 206.1
[M]- 443.16843 206.1
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