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]+ 305.131816 169.3
[M+Na]+ 327.113758 173.5
[M-H]- 303.117264 175.3
[M+NH4]+ 322.158363 183.3
[M+K]+ 343.087698 169.4
[M+H-H2O]+ 287.121800 161.2
[M+HCOO]- 349.122741 186.9
[M+CH3COO]- 363.138391 206.2
[M+Na-2H]- 325.099206 173.1
[M]+ 304.12399142 169.4
[M]- 304.12508858 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