CID 155547646

Chembl4535730

Structural Information

Molecular Formula
C23H32O4
SMILES
CC1=CC(=CC2=C1O[C@](CC2)(C)CC/C=C(\C)/CC/C=C(\C)/C(=O)O)OC
InChI
InChI=1S/C23H32O4/c1-16(8-6-10-17(2)22(24)25)9-7-12-23(4)13-11-19-15-20(26-5)14-18(3)21(19)27-23/h9-10,14-15H,6-8,11-13H2,1-5H3,(H,24,25)/b16-9+,17-10+/t23-/m1/s1
InChIKey
AABSZBMLGKTAOK-YGWYNWFMSA-N
Compound name
(2E,6E)-9-[(2R)-6-methoxy-2,8-dimethyl-3,4-dihydrochromen-2-yl]-2,6-dimethylnona-2,6-dienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

372.23007 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.23735 193.4
[M+Na]+ 395.21929 197.4
[M-H]- 371.22279 195.7
[M+NH4]+ 390.26389 206.7
[M+K]+ 411.19323 194.5
[M+H-H2O]+ 355.22733 186.9
[M+HCOO]- 417.22827 206.0
[M+CH3COO]- 431.24392 219.3
[M+Na-2H]- 393.20474 191.6
[M]+ 372.22952 196.0
[M]- 372.23062 196.0
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

No patent data available for this compound.