CID 69636646

Ly 339434

Structural Information

Molecular Formula
C18H19NO4
SMILES
C1=CC=C2C=C(C=CC2=C1)/C=C/CC(CC(C(=O)O)N)C(=O)O
InChI
InChI=1S/C18H19NO4/c19-16(18(22)23)11-15(17(20)21)7-3-4-12-8-9-13-5-1-2-6-14(13)10-12/h1-6,8-10,15-16H,7,11,19H2,(H,20,21)(H,22,23)/b4-3+
InChIKey
KNAYYBRIBNEIAL-ONEGZZNKSA-N
Compound name
2-amino-4-[(E)-3-naphthalen-2-ylprop-2-enyl]pentanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

2
Patents

313.1314 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.13868 173.9
[M+Na]+ 336.12062 177.4
[M-H]- 312.12412 174.2
[M+NH4]+ 331.16522 186.8
[M+K]+ 352.09456 173.4
[M+H-H2O]+ 296.12866 166.9
[M+HCOO]- 358.12960 190.0
[M+CH3COO]- 372.14525 205.4
[M+Na-2H]- 334.10607 173.5
[M]+ 313.13085 171.7
[M]- 313.13195 171.7
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.