CID 5387811

Nsc627644

Structural Information

Molecular Formula
C26H30O4
SMILES
CC1=CC(C(CC1)C(C)C)C2=C(C=C(C(=C2O)C(=O)/C=C/C3=CC=CC=C3)O)OC
InChI
InChI=1S/C26H30O4/c1-16(2)19-12-10-17(3)14-20(19)24-23(30-4)15-22(28)25(26(24)29)21(27)13-11-18-8-6-5-7-9-18/h5-9,11,13-16,19-20,28-29H,10,12H2,1-4H3/b13-11+
InChIKey
HFZKMAAAZSRYAY-ACCUITESSA-N
Compound name
(E)-1-[2,6-dihydroxy-4-methoxy-3-(3-methyl-6-propan-2-ylcyclohex-2-en-1-yl)phenyl]-3-phenylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.21442 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.22170 200.3
[M+Na]+ 429.20364 204.9
[M-H]- 405.20714 206.9
[M+NH4]+ 424.24824 209.6
[M+K]+ 445.17758 199.6
[M+H-H2O]+ 389.21168 191.2
[M+HCOO]- 451.21262 215.0
[M+CH3COO]- 465.22827 224.9
[M+Na-2H]- 427.18909 195.1
[M]+ 406.21387 199.7
[M]- 406.21497 199.7
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.