CID 49767957

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

Structural Information

Molecular Formula
C17H18N2O5
SMILES
COC(=O)CNC(=O)CNC(=O)COC1=CC2=CC=CC=C2C=C1
InChI
InChI=1S/C17H18N2O5/c1-23-17(22)10-19-15(20)9-18-16(21)11-24-14-7-6-12-4-2-3-5-13(12)8-14/h2-8H,9-11H2,1H3,(H,18,21)(H,19,20)
InChIKey
YAMXIIXEKNQVIS-UHFFFAOYSA-N
Compound name
methyl 2-[[2-[(2-naphthalen-2-yloxyacetyl)amino]acetyl]amino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.12158 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.12886 174.3
[M+Na]+ 353.11080 178.3
[M-H]- 329.11430 177.9
[M+NH4]+ 348.15540 187.9
[M+K]+ 369.08474 176.7
[M+H-H2O]+ 313.11884 166.0
[M+HCOO]- 375.11978 196.6
[M+CH3COO]- 389.13543 212.7
[M+Na-2H]- 351.09625 178.3
[M]+ 330.12103 177.6
[M]- 330.12213 177.6
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.