CID 688509

23576-37-6

Structural Information

Molecular Formula
C17H22N2O2
SMILES
CC(C)C[C@@H](C(=O)NC1=CC2=CC=CC=C2C(=C1)OC)N
InChI
InChI=1S/C17H22N2O2/c1-11(2)8-15(18)17(20)19-13-9-12-6-4-5-7-14(12)16(10-13)21-3/h4-7,9-11,15H,8,18H2,1-3H3,(H,19,20)/t15-/m0/s1
InChIKey
MVVPAYGKZXZGRC-HNNXBMFYSA-N
Compound name
(2S)-2-amino-N-(4-methoxynaphthalen-2-yl)-4-methylpentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

286.16812 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.17540 168.8
[M+Na]+ 309.15734 179.1
[M+NH4]+ 304.20194 176.1
[M+K]+ 325.13128 173.3
[M-H]- 285.16084 171.7
[M+Na-2H]- 307.14279 173.4
[M]+ 286.16757 170.8
[M]- 286.16867 170.8
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

patents stripe