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]+ 245.12847 155.2
[M+Na]+ 267.11041 160.0
[M-H]- 243.11391 157.6
[M+NH4]+ 262.15501 171.8
[M+K]+ 283.08435 157.1
[M+H-H2O]+ 227.11845 148.5
[M+HCOO]- 289.11939 175.5
[M+CH3COO]- 303.13504 197.2
[M+Na-2H]- 265.09586 158.9
[M]+ 244.12064 152.0
[M]- 244.12174 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