CID 3039331

Pentanoic acid, 4-(((4-methylphenyl)sulfonyl)amino)-5-oxo-5-((1,2,2,6,6-pentamethyl-4-piperidinyl)amino)-, (s)-

Structural Information

Molecular Formula
C22H35N3O5S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CCC(=O)O)C(=O)NC2CC(N(C(C2)(C)C)C)(C)C
InChI
InChI=1S/C22H35N3O5S/c1-15-7-9-17(10-8-15)31(29,30)24-18(11-12-19(26)27)20(28)23-16-13-21(2,3)25(6)22(4,5)14-16/h7-10,16,18,24H,11-14H2,1-6H3,(H,23,28)(H,26,27)/t18-/m0/s1
InChIKey
HEDRYZJMBNKJPK-SFHVURJKSA-N
Compound name
(4S)-4-[(4-methylphenyl)sulfonylamino]-5-oxo-5-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

453.22974 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 454.23702 201.7
[M+Na]+ 476.21896 204.3
[M-H]- 452.22246 204.0
[M+NH4]+ 471.26356 211.9
[M+K]+ 492.19290 201.9
[M+H-H2O]+ 436.22700 195.8
[M+HCOO]- 498.22794 210.0
[M+CH3COO]- 512.24359 235.0
[M+Na-2H]- 474.20441 201.5
[M]+ 453.22919 203.5
[M]- 453.23029 203.5
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

No patent data available for this compound.