CID 49767968

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

Structural Information

Molecular Formula
C19H22N2O6
SMILES
C[C@@H](C(=O)N[C@@H](CO)C(=O)OC)NC(=O)COC1=CC2=CC=CC=C2C=C1
InChI
InChI=1S/C19H22N2O6/c1-12(18(24)21-16(10-22)19(25)26-2)20-17(23)11-27-15-8-7-13-5-3-4-6-14(13)9-15/h3-9,12,16,22H,10-11H2,1-2H3,(H,20,23)(H,21,24)/t12-,16-/m0/s1
InChIKey
IUZCRQKGHYCLPL-LRDDRELGSA-N
Compound name
methyl (2S)-3-hydroxy-2-[[(2S)-2-[(2-naphthalen-2-yloxyacetyl)amino]propanoyl]amino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.1478 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.15508 186.1
[M+Na]+ 397.13702 187.9
[M-H]- 373.14052 188.0
[M+NH4]+ 392.18162 196.8
[M+K]+ 413.11096 187.3
[M+H-H2O]+ 357.14506 177.9
[M+HCOO]- 419.14600 204.3
[M+CH3COO]- 433.16165 220.6
[M+Na-2H]- 395.12247 186.4
[M]+ 374.14725 188.4
[M]- 374.14835 188.4
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.