CID 6374305

Nsc636682

Structural Information

Molecular Formula
C24H22O5
SMILES
C1C/C(=C/C2=CC3=C(OCCO3)C=C2)/C(=O)/C(=C\C4=CC5=C(OCCO5)C=C4)/C1
InChI
InChI=1S/C24H22O5/c25-24-18(12-16-4-6-20-22(14-16)28-10-8-26-20)2-1-3-19(24)13-17-5-7-21-23(15-17)29-11-9-27-21/h4-7,12-15H,1-3,8-11H2/b18-12-,19-13-
InChIKey
ULFBIHLWIVBRDI-BKHHGCLFSA-N
Compound name
(2Z,6Z)-2,6-bis(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)cyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.14673 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.15401 193.0
[M+Na]+ 413.13595 197.1
[M-H]- 389.13945 204.8
[M+NH4]+ 408.18055 199.7
[M+K]+ 429.10989 196.1
[M+H-H2O]+ 373.14399 182.5
[M+HCOO]- 435.14493 202.1
[M+CH3COO]- 449.16058 201.1
[M+Na-2H]- 411.12140 196.0
[M]+ 390.14618 188.8
[M]- 390.14728 188.8
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.