CID 11948097

Schembl12155361

Structural Information

Molecular Formula
C25H22O3
SMILES
CC1=CC=C(C=C1)CC2=C(C3=CC=CC=C3OC2=O)OCC4=CC=C(C=C4)C
InChI
InChI=1S/C25H22O3/c1-17-7-11-19(12-8-17)15-22-24(27-16-20-13-9-18(2)10-14-20)21-5-3-4-6-23(21)28-25(22)26/h3-14H,15-16H2,1-2H3
InChIKey
OKUDJCMOYXOICG-UHFFFAOYSA-N
Compound name
4-[(4-methylphenyl)methoxy]-3-[(4-methylphenyl)methyl]chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

370.1569 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.16418 191.5
[M+Na]+ 393.14612 200.5
[M-H]- 369.14962 203.0
[M+NH4]+ 388.19072 203.2
[M+K]+ 409.12006 195.6
[M+H-H2O]+ 353.15416 180.8
[M+HCOO]- 415.15510 212.5
[M+CH3COO]- 429.17075 202.6
[M+Na-2H]- 391.13157 195.6
[M]+ 370.15635 196.0
[M]- 370.15745 196.0
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

patents stripe