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 169.3
[M+Na]+ 327.11376 173.5
[M-H]- 303.11726 175.3
[M+NH4]+ 322.15836 183.3
[M+K]+ 343.08770 169.4
[M+H-H2O]+ 287.12180 161.2
[M+HCOO]- 349.12274 186.9
[M+CH3COO]- 363.13839 206.2
[M+Na-2H]- 325.09921 173.1
[M]+ 304.12399 169.4
[M]- 304.12509 169.4
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