CID 6475723

(e)-1-(4-hydroxy-phenyl)-3-(7-methoxy-2,3,3-trimethyl-1-benzopyran-6-yl)-propenone

Structural Information

Molecular Formula
C22H24O4
SMILES
CC1C(CC2=CC(=C(C=C2O1)OC)/C=C/C(=O)C3=CC=C(C=C3)O)(C)C
InChI
InChI=1S/C22H24O4/c1-14-22(2,3)13-17-11-16(20(25-4)12-21(17)26-14)7-10-19(24)15-5-8-18(23)9-6-15/h5-12,14,23H,13H2,1-4H3/b10-7+
InChIKey
BLTHQEQKGISVHD-JXMROGBWSA-N
Compound name
(E)-1-(4-hydroxyphenyl)-3-(7-methoxy-2,3,3-trimethyl-2,4-dihydrochromen-6-yl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

352.16745 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.17473 184.4
[M+Na]+ 375.15667 192.2
[M-H]- 351.16017 191.5
[M+NH4]+ 370.20127 198.8
[M+K]+ 391.13061 188.8
[M+H-H2O]+ 335.16471 176.7
[M+HCOO]- 397.16565 200.6
[M+CH3COO]- 411.18130 214.6
[M+Na-2H]- 373.14212 186.3
[M]+ 352.16690 186.9
[M]- 352.16800 186.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.