CID 481279

((2s)-2-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-phenylethyl)amino}butyl)[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amine

Structural Information

Molecular Formula
C30H40N2O7S2
SMILES
CC(C)CN(C[C@H](CCN(CCC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)OC)O)S(=O)(=O)C3=CC=C(C=C3)OC
InChI
InChI=1S/C30H40N2O7S2/c1-24(2)22-32(41(36,37)30-16-12-28(39-4)13-17-30)23-26(33)19-21-31(20-18-25-8-6-5-7-9-25)40(34,35)29-14-10-27(38-3)11-15-29/h5-17,24,26,33H,18-23H2,1-4H3/t26-/m0/s1
InChIKey
JZVJGVFJSOFUHA-SANMLTNESA-N
Compound name
N-[(3S)-3-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]butyl]-4-methoxy-N-(2-phenylethyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

604.2277 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 605.23498 241.5
[M+Na]+ 627.21692 240.3
[M-H]- 603.22042 249.0
[M+NH4]+ 622.26152 242.7
[M+K]+ 643.19086 237.5
[M+H-H2O]+ 587.22496 230.2
[M+HCOO]- 649.22590 249.3
[M+CH3COO]- 663.24155 261.8
[M+Na-2H]- 625.20237 242.3
[M]+ 604.22715 250.3
[M]- 604.22825 250.3
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.