CID 6439820

U 56407

Structural Information

Molecular Formula
C29H32N2O7
SMILES
CC(C)C/C=C/C=C/C=C/C(=O)NC1=CC(C2C(C1=O)O2)(/C=C/C=C/C=C/C(=O)NC3=C(CCC3=O)O)O
InChI
InChI=1S/C29H32N2O7/c1-19(2)12-8-4-3-5-9-13-23(34)30-20-18-29(37,28-27(38-28)26(20)36)17-11-7-6-10-14-24(35)31-25-21(32)15-16-22(25)33/h3-11,13-14,17-19,27-28,32,37H,12,15-16H2,1-2H3,(H,30,34)(H,31,35)/b5-3+,7-6+,8-4+,13-9+,14-10+,17-11+
InChIKey
GLLPHENDWDLKRH-GXCWGJJBSA-N
Compound name
(2E,4E,6E)-N-[5-hydroxy-5-[(1E,3E,5E)-7-[(2-hydroxy-5-oxocyclopenten-1-yl)amino]-7-oxohepta-1,3,5-trienyl]-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]-9-methyldeca-2,4,6-trienamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

520.22095 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 521.22823 220.7
[M+Na]+ 543.21017 225.8
[M+NH4]+ 538.25477 222.6
[M+K]+ 559.18411 223.3
[M-H]- 519.21367 226.4
[M+Na-2H]- 541.19562 220.4
[M]+ 520.22040 223.3
[M]- 520.22150 223.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.