CID 688402

7436-63-7

Structural Information

Molecular Formula
C20H20N2OS
SMILES
C1=CC=C(C=C1)CSC[C@@H](C(=O)NC2=CC3=CC=CC=C3C=C2)N
InChI
InChI=1S/C20H20N2OS/c21-19(14-24-13-15-6-2-1-3-7-15)20(23)22-18-11-10-16-8-4-5-9-17(16)12-18/h1-12,19H,13-14,21H2,(H,22,23)/t19-/m0/s1
InChIKey
TWOOKPVYHBSXIU-IBGZPJMESA-N
Compound name
(2R)-2-amino-3-benzylsulfanyl-N-naphthalen-2-ylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.12964 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.136916 177.0
[M+Na]+ 359.118858 181.5
[M-H]- 335.122364 183.0
[M+NH4]+ 354.163463 190.7
[M+K]+ 375.092798 175.3
[M+H-H2O]+ 319.126900 168.5
[M+HCOO]- 381.127841 193.8
[M+CH3COO]- 395.143491 186.3
[M+Na-2H]- 357.104306 180.1
[M]+ 336.12909142 176.7
[M]- 336.13018858 176.7
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

No patent data available for this compound.