CID 56593717

1333981-84-2

Structural Information

Molecular Formula
C31H34N2O3S
SMILES
CC1=CC=C(C=C1)COCCN[C@H](C2=CC=CC=C2)[C@@H](C3=CC=CC=C3)NS(=O)(=O)C4=CC=C(C=C4)C
InChI
InChI=1S/C31H34N2O3S/c1-24-13-17-26(18-14-24)23-36-22-21-32-30(27-9-5-3-6-10-27)31(28-11-7-4-8-12-28)33-37(34,35)29-19-15-25(2)16-20-29/h3-20,30-33H,21-23H2,1-2H3/t30-,31-/m1/s1
InChIKey
KBZBFGNKQIJMDQ-FIRIVFDPSA-N
Compound name
4-methyl-N-[(1R,2R)-2-[2-[(4-methylphenyl)methoxy]ethylamino]-1,2-diphenylethyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

514.229 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 515.23628 225.1
[M+Na]+ 537.21822 238.3
[M+NH4]+ 532.26282 231.6
[M+K]+ 553.19216 227.3
[M-H]- 513.22172 233.8
[M+Na-2H]- 535.20367 237.0
[M]+ 514.22845 230.1
[M]- 514.22955 230.1
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

patents stripe