CID 7021444

201982-92-5

Structural Information

Molecular Formula
C16H20N2O2
SMILES
CC(C)[C@@H](C(=O)NC1=CC2=CC=CC=C2C(=C1)OC)N
InChI
InChI=1S/C16H20N2O2/c1-10(2)15(17)16(19)18-12-8-11-6-4-5-7-13(11)14(9-12)20-3/h4-10,15H,17H2,1-3H3,(H,18,19)/t15-/m0/s1
InChIKey
GRDPQPREOTZYRW-HNNXBMFYSA-N
Compound name
(2S)-2-amino-N-(4-methoxynaphthalen-2-yl)-3-methylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.15247 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.159746 164.7
[M+Na]+ 295.141688 169.9
[M-H]- 271.145194 168.4
[M+NH4]+ 290.186293 181.1
[M+K]+ 311.115628 167.4
[M+H-H2O]+ 255.149730 157.5
[M+HCOO]- 317.150671 185.7
[M+CH3COO]- 331.166321 206.8
[M+Na-2H]- 293.127136 167.0
[M]+ 272.15192142 164.3
[M]- 272.15301858 164.3
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.