CID 2408373

Akos034827867

Structural Information

Molecular Formula
C18H21NO4
SMILES
CC(C)[C@@H](C(=O)OC)NC(=O)COC1=CC2=CC=CC=C2C=C1
InChI
InChI=1S/C18H21NO4/c1-12(2)17(18(21)22-3)19-16(20)11-23-15-9-8-13-6-4-5-7-14(13)10-15/h4-10,12,17H,11H2,1-3H3,(H,19,20)/t17-/m0/s1
InChIKey
HHCMRFUQMRNFOM-KRWDZBQOSA-N
Compound name
methyl (2S)-3-methyl-2-[(2-naphthalen-2-yloxyacetyl)amino]butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.14706 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.154336 174.6
[M+Na]+ 338.136278 178.7
[M-H]- 314.139784 178.2
[M+NH4]+ 333.180883 189.3
[M+K]+ 354.110218 177.2
[M+H-H2O]+ 298.144320 166.9
[M+HCOO]- 360.145261 194.2
[M+CH3COO]- 374.160911 210.6
[M+Na-2H]- 336.121726 176.2
[M]+ 315.14651142 177.7
[M]- 315.14760858 177.7
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.