CID 44257203

Tephrowatsin d

Structural Information

Molecular Formula
C23H28O4
SMILES
CC(=CCC1=C(C=C(C2=C1OC(CC2)(C3=CC=CC=C3)OC)OC)OC)C
InChI
InChI=1S/C23H28O4/c1-16(2)11-12-18-20(24-3)15-21(25-4)19-13-14-23(26-5,27-22(18)19)17-9-7-6-8-10-17/h6-11,15H,12-14H2,1-5H3
InChIKey
FNZKAXPXZXWCFJ-UHFFFAOYSA-N
Compound name
2,5,7-trimethoxy-8-(3-methylbut-2-enyl)-2-phenyl-3,4-dihydrochromene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.19876 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.20604 190.6
[M+Na]+ 391.18798 197.1
[M-H]- 367.19148 198.4
[M+NH4]+ 386.23258 204.8
[M+K]+ 407.16192 194.9
[M+H-H2O]+ 351.19602 181.9
[M+HCOO]- 413.19696 207.7
[M+CH3COO]- 427.21261 219.2
[M+Na-2H]- 389.17343 192.9
[M]+ 368.19821 195.4
[M]- 368.19931 195.4
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.