CID 11226764

(1s,2s)-n-methylsulfonyl-1,2-diphenylethanediamine

Structural Information

Molecular Formula
C15H18N2O2S
SMILES
CS(=O)(=O)N[C@@H](C1=CC=CC=C1)[C@H](C2=CC=CC=C2)N
InChI
InChI=1S/C15H18N2O2S/c1-20(18,19)17-15(13-10-6-3-7-11-13)14(16)12-8-4-2-5-9-12/h2-11,14-15,17H,16H2,1H3/t14-,15-/m0/s1
InChIKey
FSRRNSLQEDUDTP-GJZGRUSLSA-N
Compound name
N-[(1S,2S)-2-amino-1,2-diphenylethyl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

94
Patents

290.1089 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.116176 165.2
[M+Na]+ 313.098118 170.0
[M-H]- 289.101624 170.9
[M+NH4]+ 308.142723 179.6
[M+K]+ 329.072058 165.7
[M+H-H2O]+ 273.106160 157.4
[M+HCOO]- 335.107101 182.6
[M+CH3COO]- 349.122751 202.7
[M+Na-2H]- 311.083566 168.5
[M]+ 290.10835142 164.1
[M]- 290.10944858 164.1
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