CID 85749

Einecs 238-542-7

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

272.1161 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.12338 162.0
[M+Na]+ 295.10532 171.2
[M+NH4]+ 290.14992 168.3
[M+K]+ 311.07926 166.6
[M-H]- 271.10882 163.5
[M+Na-2H]- 293.09077 166.1
[M]+ 272.11555 163.2
[M]- 272.11665 163.2
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