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 241.2
[M+Na]+ 599.30917 248.2
[M+NH4]+ 594.35377 244.5
[M+K]+ 615.28311 238.0
[M-H]- 575.31267 245.5
[M+Na-2H]- 597.29462 241.6
[M]+ 576.31940 242.9
[M]- 576.32050 242.9
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.