CID 6852168

6-chloro-n-{(3s)-1-[(1s)-1-methyl-2-(4-morpholinyl)-2-oxo ethyl]-2-oxo-3-pyrrolidinyl}-2-naphthalenesulfonamide

Structural Information

Molecular Formula
C21H24ClN3O5S
SMILES
C[C@@H](C(=O)N1CCOCC1)N2CC[C@@H](C2=O)NS(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl
InChI
InChI=1S/C21H24ClN3O5S/c1-14(20(26)24-8-10-30-11-9-24)25-7-6-19(21(25)27)23-31(28,29)18-5-3-15-12-17(22)4-2-16(15)13-18/h2-5,12-14,19,23H,6-11H2,1H3/t14-,19-/m0/s1
InChIKey
ICLOZQFWTRAYPX-LIRRHRJNSA-N
Compound name
6-chloro-N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

59
Patents

465.11252 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 466.11980 205.7
[M+Na]+ 488.10174 210.3
[M-H]- 464.10524 213.4
[M+NH4]+ 483.14634 213.1
[M+K]+ 504.07568 206.6
[M+H-H2O]+ 448.10978 198.0
[M+HCOO]- 510.11072 208.8
[M+CH3COO]- 524.12637 230.1
[M+Na-2H]- 486.08719 204.0
[M]+ 465.11197 207.1
[M]- 465.11307 207.1
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

No patent data available for this compound.