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]+ 300.159406 171.7
[M+Na]+ 322.141348 176.0
[M-H]- 298.144854 175.4
[M+NH4]+ 317.185953 187.2
[M+K]+ 338.115288 173.8
[M+H-H2O]+ 282.149390 164.3
[M+HCOO]- 344.150331 191.1
[M+CH3COO]- 358.165981 208.5
[M+Na-2H]- 320.126796 173.2
[M]+ 299.15158142 173.4
[M]- 299.15267858 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.