CID 395501

Nsc700143

Structural Information

Molecular Formula
C22H20O5
SMILES
CC(=C1C(=C(C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC)C(=O)OC1=O)C
InChI
InChI=1S/C22H20O5/c1-13(2)18-20(22(24)27-21(18)23)19(14-5-9-16(25-3)10-6-14)15-7-11-17(26-4)12-8-15/h5-12H,1-4H3
InChIKey
AQYNSYRKHHCPQT-UHFFFAOYSA-N
Compound name
3-[bis(4-methoxyphenyl)methylidene]-4-propan-2-ylideneoxolane-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.13107 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.13835 184.8
[M+Na]+ 387.12029 192.0
[M-H]- 363.12379 195.7
[M+NH4]+ 382.16489 197.6
[M+K]+ 403.09423 189.2
[M+H-H2O]+ 347.12833 177.2
[M+HCOO]- 409.12927 204.6
[M+CH3COO]- 423.14492 216.4
[M+Na-2H]- 385.10574 181.8
[M]+ 364.13052 187.7
[M]- 364.13162 187.7
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.