CID 49767932

L-methionine, n-[(2-naphthalenyloxy)acetyl]-, methyl ester

Structural Information

Molecular Formula
C18H21NO4S
SMILES
COC(=O)[C@H](CCSC)NC(=O)COC1=CC2=CC=CC=C2C=C1
InChI
InChI=1S/C18H21NO4S/c1-22-18(21)16(9-10-24-2)19-17(20)12-23-15-8-7-13-5-3-4-6-14(13)11-15/h3-8,11,16H,9-10,12H2,1-2H3,(H,19,20)/t16-/m0/s1
InChIKey
APMYTGRFMPVHTK-INIZCTEOSA-N
Compound name
methyl (2S)-4-methylsulfanyl-2-[(2-naphthalen-2-yloxyacetyl)amino]butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.11914 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.12642 181.0
[M+Na]+ 370.10836 185.1
[M-H]- 346.11186 184.3
[M+NH4]+ 365.15296 194.9
[M+K]+ 386.08230 182.1
[M+H-H2O]+ 330.11640 173.2
[M+HCOO]- 392.11734 196.3
[M+CH3COO]- 406.13299 213.2
[M+Na-2H]- 368.09381 181.9
[M]+ 347.11859 187.0
[M]- 347.11969 187.0
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.