CID 22699

6285-34-3

Structural Information

Molecular Formula
C33H50O4
SMILES
CCCCCCCCCCOC1=CC=C(C=C1)C(=O)C2=C(C=C(C=C2)OCCCCCCCCCC)O
InChI
InChI=1S/C33H50O4/c1-3-5-7-9-11-13-15-17-25-36-29-21-19-28(20-22-29)33(35)31-24-23-30(27-32(31)34)37-26-18-16-14-12-10-8-6-4-2/h19-24,27,34H,3-18,25-26H2,1-2H3
InChIKey
JQKWGPZNJCEJDY-UHFFFAOYSA-N
Compound name
(4-decoxy-2-hydroxyphenyl)-(4-decoxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

510.3709 Da
Monoisotopic Mass

12.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 511.37818 237.0
[M+Na]+ 533.36012 236.9
[M-H]- 509.36362 239.1
[M+NH4]+ 528.40472 242.5
[M+K]+ 549.33406 230.4
[M+H-H2O]+ 493.36816 225.8
[M+HCOO]- 555.36910 253.1
[M+CH3COO]- 569.38475 246.9
[M+Na-2H]- 531.34557 231.0
[M]+ 510.37035 246.2
[M]- 510.37145 246.2
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.