CID 164706

635-86-9

Structural Information

Molecular Formula
C15H16N2O3
SMILES
C1=CC=C2C=C(C=CC2=C1)NC(=O)[C@H](CCC(=O)O)N
InChI
InChI=1S/C15H16N2O3/c16-13(7-8-14(18)19)15(20)17-12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9,13H,7-8,16H2,(H,17,20)(H,18,19)/t13-/m0/s1
InChIKey
KRHKZHQADOKBFO-ZDUSSCGKSA-N
Compound name
(4S)-4-amino-5-(naphthalen-2-ylamino)-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

15
Patents

272.1161 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.12338 162.1
[M+Na]+ 295.10532 171.4
[M+NH4]+ 290.14992 168.4
[M+K]+ 311.07926 166.7
[M-H]- 271.10882 163.7
[M+Na-2H]- 293.09077 166.2
[M]+ 272.11555 163.4
[M]- 272.11665 163.4
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