CID 107544

H-tyr-betana

Structural Information

Molecular Formula
C19H18N2O2
SMILES
C1=CC=C2C=C(C=CC2=C1)NC(=O)[C@H](CC3=CC=C(C=C3)O)N
InChI
InChI=1S/C19H18N2O2/c20-18(11-13-5-9-17(22)10-6-13)19(23)21-16-8-7-14-3-1-2-4-15(14)12-16/h1-10,12,18,22H,11,20H2,(H,21,23)/t18-/m0/s1
InChIKey
BZBYYTSHGRKCJJ-SFHVURJKSA-N
Compound name
(2S)-2-amino-3-(4-hydroxyphenyl)-N-naphthalen-2-ylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

10
Patents

306.13684 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.14412 172.9
[M+Na]+ 329.12606 185.5
[M+NH4]+ 324.17066 180.8
[M+K]+ 345.10000 178.3
[M-H]- 305.12956 178.3
[M+Na-2H]- 327.11151 180.8
[M]+ 306.13629 176.1
[M]- 306.13739 176.1
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