CID 6446302

Brn 4944379

Structural Information

Molecular Formula
C34H44N2O6
SMILES
C=CCC1(C(=O)O/C(=C\C=C\2/OC(=O)C(C(=O)N2C3CCCCC3)(CC=C)CC=C)/N(C1=O)C4CCCCC4)CC=C
InChI
InChI=1S/C34H44N2O6/c1-5-21-33(22-6-2)29(37)35(25-15-11-9-12-16-25)27(41-31(33)39)19-20-28-36(26-17-13-10-14-18-26)30(38)34(23-7-3,24-8-4)32(40)42-28/h5-8,19-20,25-26H,1-4,9-18,21-24H2/b27-19-,28-20-
InChIKey
TYCTWJOSWONHLG-RSSRHXQMSA-N
Compound name
(2Z)-3-cyclohexyl-2-[(2Z)-2-[3-cyclohexyl-4,6-dioxo-5,5-bis(prop-2-enyl)-1,3-oxazinan-2-ylidene]ethylidene]-5,5-bis(prop-2-enyl)-1,3-oxazinane-4,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

576.31995 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 577.32723 240.8
[M+Na]+ 599.30917 240.8
[M-H]- 575.31267 247.6
[M+NH4]+ 594.35377 241.5
[M+K]+ 615.28311 235.1
[M+H-H2O]+ 559.31721 228.9
[M+HCOO]- 621.31815 241.7
[M+CH3COO]- 635.33380 258.7
[M+Na-2H]- 597.29462 231.1
[M]+ 576.31940 232.1
[M]- 576.32050 232.1
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.