CID 49767960

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

Structural Information

Molecular Formula
C18H20N2O6
SMILES
COC(=O)CNC(=O)[C@H](CO)NC(=O)COC1=CC2=CC=CC=C2C=C1
InChI
InChI=1S/C18H20N2O6/c1-25-17(23)9-19-18(24)15(10-21)20-16(22)11-26-14-7-6-12-4-2-3-5-13(12)8-14/h2-8,15,21H,9-11H2,1H3,(H,19,24)(H,20,22)/t15-/m0/s1
InChIKey
SCKHSVDLMJMTSO-HNNXBMFYSA-N
Compound name
methyl 2-[[(2S)-3-hydroxy-2-[(2-naphthalen-2-yloxyacetyl)amino]propanoyl]amino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.13214 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.13942 181.2
[M+Na]+ 383.12136 183.8
[M-H]- 359.12486 183.3
[M+NH4]+ 378.16596 192.6
[M+K]+ 399.09530 182.7
[M+H-H2O]+ 343.12940 173.0
[M+HCOO]- 405.13034 200.9
[M+CH3COO]- 419.14599 216.7
[M+Na-2H]- 381.10681 183.3
[M]+ 360.13159 183.8
[M]- 360.13269 183.8
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.