CID 49767967

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

Structural Information

Molecular Formula
C18H20N2O5
SMILES
C[C@@H](C(=O)NCC(=O)OC)NC(=O)COC1=CC2=CC=CC=C2C=C1
InChI
InChI=1S/C18H20N2O5/c1-12(18(23)19-10-17(22)24-2)20-16(21)11-25-15-8-7-13-5-3-4-6-14(13)9-15/h3-9,12H,10-11H2,1-2H3,(H,19,23)(H,20,21)/t12-/m0/s1
InChIKey
LETWOXMBJWSCSE-LBPRGKRZSA-N
Compound name
methyl 2-[[(2S)-2-[(2-naphthalen-2-yloxyacetyl)amino]propanoyl]amino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.1372 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.14448 179.3
[M+Na]+ 367.12642 182.5
[M-H]- 343.12992 182.8
[M+NH4]+ 362.17102 192.2
[M+K]+ 383.10036 181.4
[M+H-H2O]+ 327.13446 171.0
[M+HCOO]- 389.13540 200.2
[M+CH3COO]- 403.15105 216.7
[M+Na-2H]- 365.11187 181.6
[M]+ 344.13665 182.3
[M]- 344.13775 182.3
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.