CID 381512

Nsc668268

Structural Information

Molecular Formula
C24H22O5
SMILES
CC1=C(C(=O)OC2=C1C=CC(=C2C)OCC3(CC(=C)C(=O)O3)C4=CC=CC=C4)C
InChI
InChI=1S/C24H22O5/c1-14-12-24(29-22(14)25,18-8-6-5-7-9-18)13-27-20-11-10-19-15(2)16(3)23(26)28-21(19)17(20)4/h5-11H,1,12-13H2,2-4H3
InChIKey
BISHOPKZVHUCGR-UHFFFAOYSA-N
Compound name
3,4,8-trimethyl-7-[(4-methylidene-5-oxo-2-phenyloxolan-2-yl)methoxy]chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.14673 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.15401 191.5
[M+Na]+ 413.13595 202.3
[M-H]- 389.13945 204.8
[M+NH4]+ 408.18055 205.5
[M+K]+ 429.10989 199.5
[M+H-H2O]+ 373.14399 183.7
[M+HCOO]- 435.14493 210.9
[M+CH3COO]- 449.16058 223.0
[M+Na-2H]- 411.12140 192.7
[M]+ 390.14618 197.5
[M]- 390.14728 197.5
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.