CID 135438594

Miraxanthin-v

Structural Information

Molecular Formula
C17H18N2O6
SMILES
C\1C(NC(=C/C1=C/C=NCCC2=CC(=C(C=C2)O)O)C(=O)O)C(=O)O
InChI
InChI=1S/C17H18N2O6/c20-14-2-1-10(9-15(14)21)3-5-18-6-4-11-7-12(16(22)23)19-13(8-11)17(24)25/h1-2,4,6-7,9,13,19-21H,3,5,8H2,(H,22,23)(H,24,25)/b11-4-,18-6?
InChIKey
PDKFHZWVCCZUIF-DJSQHCOFSA-N
Compound name
(4E)-4-[2-[2-(3,4-dihydroxyphenyl)ethylimino]ethylidene]-2,3-dihydro-1H-pyridine-2,6-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

10
Patents

346.1165 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.12378 180.1
[M+Na]+ 369.10572 187.8
[M+NH4]+ 364.15032 182.4
[M+K]+ 385.07966 185.2
[M-H]- 345.10922 178.7
[M+Na-2H]- 367.09117 181.3
[M]+ 346.11595 180.0
[M]- 346.11705 180.0
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