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 178.5
[M+Na]+ 369.10572 182.7
[M-H]- 345.10922 178.2
[M+NH4]+ 364.15032 186.9
[M+K]+ 385.07966 177.8
[M+H-H2O]+ 329.11376 170.5
[M+HCOO]- 391.11470 192.5
[M+CH3COO]- 405.13035 205.9
[M+Na-2H]- 367.09117 176.9
[M]+ 346.11595 174.2
[M]- 346.11705 174.2
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