CID 496483

Nsc690775

Structural Information

Molecular Formula
C20H23NO7S2
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N2CC(CC2C(=O)OC)OS(=O)(=O)C3=CC=C(C=C3)C
InChI
InChI=1S/C20H23NO7S2/c1-14-4-8-17(9-5-14)29(23,24)21-13-16(12-19(21)20(22)27-3)28-30(25,26)18-10-6-15(2)7-11-18/h4-11,16,19H,12-13H2,1-3H3
InChIKey
ICILFGNGVHEIRZ-UHFFFAOYSA-N
Compound name
methyl 1-(4-methylphenyl)sulfonyl-4-(4-methylphenyl)sulfonyloxypyrrolidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

453.09158 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 454.09886 204.9
[M+Na]+ 476.08080 211.6
[M-H]- 452.08430 213.1
[M+NH4]+ 471.12540 214.3
[M+K]+ 492.05474 207.7
[M+H-H2O]+ 436.08884 197.9
[M+HCOO]- 498.08978 213.3
[M+CH3COO]- 512.10543 223.5
[M+Na-2H]- 474.06625 204.4
[M]+ 453.09103 211.4
[M]- 453.09213 211.4
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