CID 475330

Tomeglovir

Structural Information

Molecular Formula
C23H27N3O4S
SMILES
CC(C)(CO)C(=O)NC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC3=C2C=CC=C3N(C)C
InChI
InChI=1S/C23H27N3O4S/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/h5-14,25,27H,15H2,1-4H3,(H,24,28)
InChIKey
OSQAKHSYTKBSPB-UHFFFAOYSA-N
Compound name
N-[4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]phenyl]-3-hydroxy-2,2-dimethylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

205
Patents

441.17224 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.17952 202.6
[M+Na]+ 464.16146 206.4
[M-H]- 440.16496 209.2
[M+NH4]+ 459.20606 211.8
[M+K]+ 480.13540 202.8
[M+H-H2O]+ 424.16950 193.9
[M+HCOO]- 486.17044 217.4
[M+CH3COO]- 500.18609 237.1
[M+Na-2H]- 462.14691 207.7
[M]+ 441.17169 206.0
[M]- 441.17279 206.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe