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

116
Patents

290.1089 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.11618 165.2
[M+Na]+ 313.09812 170.0
[M-H]- 289.10162 170.9
[M+NH4]+ 308.14272 179.6
[M+K]+ 329.07206 165.7
[M+H-H2O]+ 273.10616 157.4
[M+HCOO]- 335.10710 182.6
[M+CH3COO]- 349.12275 202.7
[M+Na-2H]- 311.08357 168.5
[M]+ 290.10835 164.1
[M]- 290.10945 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