CID 688402

H-cys(bzl)-betana

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]+ 337.13692 177.1
[M+Na]+ 359.11886 189.6
[M+NH4]+ 354.16346 186.1
[M+K]+ 375.09280 179.3
[M-H]- 335.12236 183.5
[M+Na-2H]- 357.10431 185.9
[M]+ 336.12909 181.2
[M]- 336.13019 181.2
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

No patent data available for this compound.