CID 5469373

Nsc687146

Structural Information

Molecular Formula
C26H40O4
SMILES
CC1=C(C(=C(C(=C1OC)OC)OC)OC)C/C=C(\C)/CC/C=C(\C)/CCC=C(C)C
InChI
InChI=1S/C26H40O4/c1-18(2)12-10-13-19(3)14-11-15-20(4)16-17-22-21(5)23(27-6)25(29-8)26(30-9)24(22)28-7/h12,14,16H,10-11,13,15,17H2,1-9H3/b19-14+,20-16+
InChIKey
XUKZWFXRDDPNAW-XHGFWWIISA-N
Compound name
1,2,3,4-tetramethoxy-5-methyl-6-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

416.29266 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.29994 206.0
[M+Na]+ 439.28188 210.8
[M-H]- 415.28538 208.6
[M+NH4]+ 434.32648 217.5
[M+K]+ 455.25582 207.1
[M+H-H2O]+ 399.28992 198.5
[M+HCOO]- 461.29086 223.3
[M+CH3COO]- 475.30651 234.2
[M+Na-2H]- 437.26733 198.6
[M]+ 416.29211 215.7
[M]- 416.29321 215.7
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

patents stripe