CID 7021442

Refchem:398765

Structural Information

Molecular Formula
C14H16N2O2
SMILES
C[C@H]([C@@H](C(=O)NC1=CC2=CC=CC=C2C=C1)N)O
InChI
InChI=1S/C14H16N2O2/c1-9(17)13(15)14(18)16-12-7-6-10-4-2-3-5-11(10)8-12/h2-9,13,17H,15H2,1H3,(H,16,18)/t9-,13+/m1/s1
InChIKey
UJFAUIPJOQKLMK-RNCFNFMXSA-N
Compound name
(2S,3R)-2-amino-3-hydroxy-N-naphthalen-2-ylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

244.12119 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.128466 155.2
[M+Na]+ 267.110408 160.0
[M-H]- 243.113914 157.6
[M+NH4]+ 262.155013 171.8
[M+K]+ 283.084348 157.1
[M+H-H2O]+ 227.118450 148.5
[M+HCOO]- 289.119391 175.5
[M+CH3COO]- 303.135041 197.2
[M+Na-2H]- 265.095856 158.9
[M]+ 244.12064142 152.0
[M]- 244.12173858 152.0
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

patents stripe