CID 124098602

1803472-74-3

Structural Information

Molecular Formula
C16H20N2O2S
SMILES
CN[C@@H](C1=CC=CC=C1)[C@H](C2=CC=CC=C2)NS(=O)(=O)C
InChI
InChI=1S/C16H20N2O2S/c1-17-15(13-9-5-3-6-10-13)16(18-21(2,19)20)14-11-7-4-8-12-14/h3-12,15-18H,1-2H3/t15-,16-/m0/s1
InChIKey
QCBGDOGGSSKUNG-HOTGVXAUSA-N
Compound name
N-[(1S,2S)-2-(methylamino)-1,2-diphenylethyl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

304.12454 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.13182 169.2
[M+Na]+ 327.11376 179.5
[M+NH4]+ 322.15836 176.5
[M+K]+ 343.08770 171.9
[M-H]- 303.11726 173.2
[M+Na-2H]- 325.09921 177.4
[M]+ 304.12399 172.2
[M]- 304.12509 172.2
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