CID 44722558

146445-75-2

Structural Information

Molecular Formula
C18H21NO3
SMILES
CC(C)C[C@@H](C(=O)OC1=CC=CC2=CC=CC=C21)NC(=O)C
InChI
InChI=1S/C18H21NO3/c1-12(2)11-16(19-13(3)20)18(21)22-17-10-6-8-14-7-4-5-9-15(14)17/h4-10,12,16H,11H2,1-3H3,(H,19,20)/t16-/m0/s1
InChIKey
AZASJWZNRPMAPL-INIZCTEOSA-N
Compound name
naphthalen-1-yl (2S)-2-acetamido-4-methylpentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.15213 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.15941 170.7
[M+Na]+ 322.14135 181.2
[M+NH4]+ 317.18595 177.5
[M+K]+ 338.11529 175.7
[M-H]- 298.14485 172.5
[M+Na-2H]- 320.12680 175.2
[M]+ 299.15158 172.5
[M]- 299.15268 172.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.