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

67
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 161.2
[M+Na]+ 295.10532 165.5
[M-H]- 271.10882 163.2
[M+NH4]+ 290.14992 176.2
[M+K]+ 311.07926 162.4
[M+H-H2O]+ 255.11336 154.0
[M+HCOO]- 317.11430 181.4
[M+CH3COO]- 331.12995 202.3
[M+Na-2H]- 293.09077 164.4
[M]+ 272.11555 159.0
[M]- 272.11665 159.0
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