CID 6510277

Schembl29884399

Structural Information

Molecular Formula
C26H26N2O6
SMILES
C1C(=C(C(=O)C1)NC(=O)/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C(=O)NC2=C(CCC2=O)O)O
InChI
InChI=1S/C26H26N2O6/c29-19-15-16-20(30)25(19)27-23(33)13-11-9-7-5-3-1-2-4-6-8-10-12-14-24(34)28-26-21(31)17-18-22(26)32/h1-14,29,31H,15-18H2,(H,27,33)(H,28,34)/b2-1+,5-3+,6-4+,9-7+,10-8+,13-11+,14-12+
InChIKey
FDIGYVFQUOGCIQ-JCSPMBIZSA-N
Compound name
(2E,4E,6E,8E,10E,12E,14E)-N,N'-bis(2-hydroxy-5-oxocyclopenten-1-yl)hexadeca-2,4,6,8,10,12,14-heptaenediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

462.17908 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.18636 213.9
[M+Na]+ 485.16830 215.9
[M-H]- 461.17180 216.6
[M+NH4]+ 480.21290 223.4
[M+K]+ 501.14224 207.1
[M+H-H2O]+ 445.17634 206.6
[M+HCOO]- 507.17728 232.9
[M+CH3COO]- 521.19293 229.7
[M+Na-2H]- 483.15375 205.4
[M]+ 462.17853 210.9
[M]- 462.17963 210.9
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.