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 171.7
[M+Na]+ 322.14135 176.0
[M-H]- 298.14485 175.4
[M+NH4]+ 317.18595 187.2
[M+K]+ 338.11529 173.8
[M+H-H2O]+ 282.14939 164.3
[M+HCOO]- 344.15033 191.1
[M+CH3COO]- 358.16598 208.5
[M+Na-2H]- 320.12680 173.2
[M]+ 299.15158 173.4
[M]- 299.15268 173.4
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.