CID 7021440

81607-67-2

Structural Information

Molecular Formula
C14H16N2O3
SMILES
COC1=CC(=CC2=CC=CC=C21)NC(=O)[C@H](CO)N
InChI
InChI=1S/C14H16N2O3/c1-19-13-7-10(16-14(18)12(15)8-17)6-9-4-2-3-5-11(9)13/h2-7,12,17H,8,15H2,1H3,(H,16,18)/t12-/m0/s1
InChIKey
UUXFIMTXSQJZID-LBPRGKRZSA-N
Compound name
(2S)-2-amino-3-hydroxy-N-(4-methoxynaphthalen-2-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.1161 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.123376 157.7
[M+Na]+ 283.105318 163.6
[M-H]- 259.108824 160.4
[M+NH4]+ 278.149923 173.9
[M+K]+ 299.079258 160.8
[M+H-H2O]+ 243.113360 150.8
[M+HCOO]- 305.114301 179.2
[M+CH3COO]- 319.129951 199.7
[M+Na-2H]- 281.090766 162.0
[M]+ 260.11555142 156.9
[M]- 260.11664858 156.9
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.