CID 41589834

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

Structural Information

Molecular Formula
C19H23NO4
SMILES
CC(C)C[C@@H](C(=O)OC)NC(=O)COC1=CC2=CC=CC=C2C=C1
InChI
InChI=1S/C19H23NO4/c1-13(2)10-17(19(22)23-3)20-18(21)12-24-16-9-8-14-6-4-5-7-15(14)11-16/h4-9,11,13,17H,10,12H2,1-3H3,(H,20,21)/t17-/m0/s1
InChIKey
YMCQUHAEJZYBEW-KRWDZBQOSA-N
Compound name
methyl (2S)-4-methyl-2-[(2-naphthalen-2-yloxyacetyl)amino]pentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.16272 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.17000 179.3
[M+Na]+ 352.15194 182.9
[M-H]- 328.15544 182.7
[M+NH4]+ 347.19654 193.4
[M+K]+ 368.12588 181.2
[M+H-H2O]+ 312.15998 171.4
[M+HCOO]- 374.16092 198.5
[M+CH3COO]- 388.17657 213.6
[M+Na-2H]- 350.13739 180.3
[M]+ 329.16217 182.8
[M]- 329.16327 182.8
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.