CID 49767964

Glycine, n-[(2-naphthalenyloxy)acetyl]-l-methionyl-, methyl ester

Structural Information

Molecular Formula
C20H24N2O5S
SMILES
COC(=O)CNC(=O)[C@H](CCSC)NC(=O)COC1=CC2=CC=CC=C2C=C1
InChI
InChI=1S/C20H24N2O5S/c1-26-19(24)12-21-20(25)17(9-10-28-2)22-18(23)13-27-16-8-7-14-5-3-4-6-15(14)11-16/h3-8,11,17H,9-10,12-13H2,1-2H3,(H,21,25)(H,22,23)/t17-/m0/s1
InChIKey
CLMFRLQIPIYUHW-KRWDZBQOSA-N
Compound name
methyl 2-[[(2S)-4-methylsulfanyl-2-[(2-naphthalen-2-yloxyacetyl)amino]butanoyl]amino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.1406 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.14788 194.8
[M+Na]+ 427.12982 196.7
[M-H]- 403.13332 197.5
[M+NH4]+ 422.17442 205.6
[M+K]+ 443.10376 194.1
[M+H-H2O]+ 387.13786 186.2
[M+HCOO]- 449.13880 209.6
[M+CH3COO]- 463.15445 225.9
[M+Na-2H]- 425.11527 194.7
[M]+ 404.14005 200.7
[M]- 404.14115 200.7
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.