CID 9277599

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

Structural Information

Molecular Formula
C16H17NO5
SMILES
COC(=O)[C@H](CO)NC(=O)COC1=CC2=CC=CC=C2C=C1
InChI
InChI=1S/C16H17NO5/c1-21-16(20)14(9-18)17-15(19)10-22-13-7-6-11-4-2-3-5-12(11)8-13/h2-8,14,18H,9-10H2,1H3,(H,17,19)/t14-/m0/s1
InChIKey
XKAJALJMYHUJJS-AWEZNQCLSA-N
Compound name
methyl (2S)-3-hydroxy-2-[(2-naphthalen-2-yloxyacetyl)amino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.1107 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.11798 167.8
[M+Na]+ 326.09992 172.4
[M-H]- 302.10342 170.3
[M+NH4]+ 321.14452 182.2
[M+K]+ 342.07386 170.7
[M+H-H2O]+ 286.10796 160.4
[M+HCOO]- 348.10890 187.8
[M+CH3COO]- 362.12455 203.6
[M+Na-2H]- 324.08537 171.4
[M]+ 303.11015 170.5
[M]- 303.11125 170.5
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.