CID 4598708

76841-99-1

Structural Information

Molecular Formula
C20H29N3O3S
SMILES
CC1(CC(C(N1O)(C)C)NS(=O)(=O)C2=CC=CC3=C2C=CC=C3N(C)C)C
InChI
InChI=1S/C20H29N3O3S/c1-19(2)13-18(20(3,4)23(19)24)21-27(25,26)17-12-8-9-14-15(17)10-7-11-16(14)22(5)6/h7-12,18,21,24H,13H2,1-6H3
InChIKey
CMXIGFUEIDBKFW-UHFFFAOYSA-N
Compound name
5-(dimethylamino)-N-(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)naphthalene-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

391.19296 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.20024 189.1
[M+Na]+ 414.18218 198.2
[M+NH4]+ 409.22678 198.1
[M+K]+ 430.15612 189.8
[M-H]- 390.18568 191.7
[M+Na-2H]- 412.16763 196.4
[M]+ 391.19241 191.8
[M]- 391.19351 191.8
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