CID 496141

Nsc680442

Structural Information

Molecular Formula
C23H22O5
SMILES
CC1C(OC2=CC(=C3C(=CC(=O)OC3=C2C1=O)C4=CC=CC=C4)OC(C)C)C
InChI
InChI=1S/C23H22O5/c1-12(2)26-17-11-18-21(22(25)13(3)14(4)27-18)23-20(17)16(10-19(24)28-23)15-8-6-5-7-9-15/h5-14H,1-4H3
InChIKey
VZWPASKFJRWQPB-UHFFFAOYSA-N
Compound name
8,9-dimethyl-4-phenyl-5-propan-2-yloxy-8,9-dihydropyrano[2,3-h]chromene-2,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.14673 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.15401 190.2
[M+Na]+ 401.13595 199.6
[M-H]- 377.13945 200.5
[M+NH4]+ 396.18055 201.7
[M+K]+ 417.10989 198.0
[M+H-H2O]+ 361.14399 180.9
[M+HCOO]- 423.14493 206.0
[M+CH3COO]- 437.16058 224.4
[M+Na-2H]- 399.12140 192.6
[M]+ 378.14618 195.8
[M]- 378.14728 195.8
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.