CID 49767959

Lserine, n-[(2-naphthalenyloxy)acetyl]glycyl-, methyl ester

Structural Information

Molecular Formula
C18H20N2O6
SMILES
COC(=O)[C@H](CO)NC(=O)CNC(=O)COC1=CC2=CC=CC=C2C=C1
InChI
InChI=1S/C18H20N2O6/c1-25-18(24)15(10-21)20-16(22)9-19-17(23)11-26-14-7-6-12-4-2-3-5-13(12)8-14/h2-8,15,21H,9-11H2,1H3,(H,19,23)(H,20,22)/t15-/m0/s1
InChIKey
RMBNCEPHPZFJHK-HNNXBMFYSA-N
Compound name
methyl (2S)-3-hydroxy-2-[[2-[(2-naphthalen-2-yloxyacetyl)amino]acetyl]amino]propanoate
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]+ 361.139416 181.2
[M+Na]+ 383.121358 183.8
[M-H]- 359.124864 183.3
[M+NH4]+ 378.165963 192.6
[M+K]+ 399.095298 182.7
[M+H-H2O]+ 343.129400 173.0
[M+HCOO]- 405.130341 200.9
[M+CH3COO]- 419.145991 216.7
[M+Na-2H]- 381.106806 183.3
[M]+ 360.13159142 183.8
[M]- 360.13268858 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.