CID 102477

H-phe-betana

Structural Information

Molecular Formula
C19H18N2O
SMILES
C1=CC=C(C=C1)C[C@@H](C(=O)NC2=CC3=CC=CC=C3C=C2)N
InChI
InChI=1S/C19H18N2O/c20-18(12-14-6-2-1-3-7-14)19(22)21-17-11-10-15-8-4-5-9-16(15)13-17/h1-11,13,18H,12,20H2,(H,21,22)/t18-/m0/s1
InChIKey
QUOLUWPVABJBKU-SFHVURJKSA-N
Compound name
(2S)-2-amino-N-naphthalen-2-yl-3-phenylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

75
Patents

290.1419 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.14918 169.7
[M+Na]+ 313.13112 183.0
[M+NH4]+ 308.17572 178.5
[M+K]+ 329.10506 174.6
[M-H]- 289.13462 176.0
[M+Na-2H]- 311.11657 178.9
[M]+ 290.14135 173.3
[M]- 290.14245 173.3
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