CID 171116477

Chinensen c

Structural Information

Molecular Formula
C27H38O4
SMILES
CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC1=C(C(=CC(=C1)O)C(=O)O)O)/C)/C)/C)C
InChI
InChI=1S/C27H38O4/c1-19(2)9-6-10-20(3)11-7-12-21(4)13-8-14-22(5)15-16-23-17-24(28)18-25(26(23)29)27(30)31/h9,11,13,15,17-18,28-29H,6-8,10,12,14,16H2,1-5H3,(H,30,31)/b20-11+,21-13+,22-15+
InChIKey
IHCSAEWEZQCKOP-FLPKSHQQSA-N
Compound name
2,5-dihydroxy-3-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

426.277 Da
Monoisotopic Mass

8.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.28428 210.5
[M+Na]+ 449.26622 211.9
[M-H]- 425.26972 208.2
[M+NH4]+ 444.31082 218.6
[M+K]+ 465.24016 205.4
[M+H-H2O]+ 409.27426 203.6
[M+HCOO]- 471.27520 221.4
[M+CH3COO]- 485.29085 227.3
[M+Na-2H]- 447.25167 200.0
[M]+ 426.27645 211.3
[M]- 426.27755 211.3
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.