CID 18960381

81012-91-1

Structural Information

Molecular Formula
C16H16N2O4
SMILES
C1=CC=C2C(=C1)C=CC=C2C(=O)NC(=O)CCC(C(=O)O)N
InChI
InChI=1S/C16H16N2O4/c17-13(16(21)22)8-9-14(19)18-15(20)12-7-3-5-10-4-1-2-6-11(10)12/h1-7,13H,8-9,17H2,(H,21,22)(H,18,19,20)
InChIKey
HBFLDCKOTCDLJS-UHFFFAOYSA-N
Compound name
2-amino-5-(naphthalene-1-carbonylamino)-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

300.111 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.11828 168.3
[M+Na]+ 323.10022 176.5
[M+NH4]+ 318.14482 173.4
[M+K]+ 339.07416 172.9
[M-H]- 299.10372 168.7
[M+Na-2H]- 321.08567 171.2
[M]+ 300.11045 169.0
[M]- 300.11155 169.0
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

No patent data available for this compound.