CID 71311046

1293946-38-9

Structural Information

Molecular Formula
C29H26N2O2S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C2=CC=CC3=CC=CC=C32)[C@H](C4=CC=CC5=CC=CC=C54)N
InChI
InChI=1S/C29H26N2O2S/c1-20-16-18-23(19-17-20)34(32,33)31-29(27-15-7-11-22-9-3-5-13-25(22)27)28(30)26-14-6-10-21-8-2-4-12-24(21)26/h2-19,28-29,31H,30H2,1H3/t28-,29-/m0/s1
InChIKey
GYVYYRQMNGSCRR-VMPREFPWSA-N
Compound name
N-[(1S,2S)-2-amino-1,2-dinaphthalen-1-ylethyl]-4-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

466.1715 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.17878 209.4
[M+Na]+ 489.16072 225.5
[M+NH4]+ 484.20532 218.0
[M+K]+ 505.13466 213.9
[M-H]- 465.16422 218.4
[M+Na-2H]- 487.14617 221.2
[M]+ 466.17095 215.0
[M]- 466.17205 215.0
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.