CID 10405997

Ilicicolin b

Structural Information

Molecular Formula
C23H32O3
SMILES
CC1=CC(=C(C(=C1C=O)O)C/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)O
InChI
InChI=1S/C23H32O3/c1-16(2)8-6-9-17(3)10-7-11-18(4)12-13-20-22(25)14-19(5)21(15-24)23(20)26/h8,10,12,14-15,25-26H,6-7,9,11,13H2,1-5H3/b17-10+,18-12+
InChIKey
QAPOXOGEDXIOHD-VZRGJMDUSA-N
Compound name
2,4-dihydroxy-6-methyl-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

356.23514 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.24242 192.6
[M+Na]+ 379.22436 201.9
[M+NH4]+ 374.26896 196.6
[M+K]+ 395.19830 195.6
[M-H]- 355.22786 191.5
[M+Na-2H]- 377.20981 192.7
[M]+ 356.23459 193.2
[M]- 356.23569 193.2
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