CID 49767961

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

Structural Information

Molecular Formula
C19H22N2O7
SMILES
COC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)COC1=CC2=CC=CC=C2C=C1
InChI
InChI=1S/C19H22N2O7/c1-27-19(26)16(10-23)21-18(25)15(9-22)20-17(24)11-28-14-7-6-12-4-2-3-5-13(12)8-14/h2-8,15-16,22-23H,9-11H2,1H3,(H,20,24)(H,21,25)/t15-,16-/m0/s1
InChIKey
AHQLVCKVTCQSEK-HOTGVXAUSA-N
Compound name
methyl (2S)-3-hydroxy-2-[[(2S)-3-hydroxy-2-[(2-naphthalen-2-yloxyacetyl)amino]propanoyl]amino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.1427 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.14998 187.7
[M+Na]+ 413.13192 188.9
[M-H]- 389.13542 188.2
[M+NH4]+ 408.17652 196.9
[M+K]+ 429.10586 188.4
[M+H-H2O]+ 373.13996 179.5
[M+HCOO]- 435.14090 204.6
[M+CH3COO]- 449.15655 220.8
[M+Na-2H]- 411.11737 187.9
[M]+ 390.14215 189.7
[M]- 390.14325 189.7
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.