CID 688367

3438-14-0

Structural Information

Molecular Formula
C14H16N2O2
SMILES
C[C@@H](C(=O)NC1=CC2=CC=CC=C2C(=C1)OC)N
InChI
InChI=1S/C14H16N2O2/c1-9(15)14(17)16-11-7-10-5-3-4-6-12(10)13(8-11)18-2/h3-9H,15H2,1-2H3,(H,16,17)/t9-/m0/s1
InChIKey
HHHWOVLNFWAAAF-VIFPVBQESA-N
Compound name
(2S)-2-amino-N-(4-methoxynaphthalen-2-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
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 166.5
[M+NH4]+ 262.15501 163.1
[M+K]+ 283.08435 160.6
[M-H]- 243.11391 158.4
[M+Na-2H]- 265.09586 160.9
[M]+ 244.12064 157.5
[M]- 244.12174 157.5
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