CID 101676196

Dihydroxyacidissiminol

Structural Information

Molecular Formula
C25H33NO5
SMILES
C/C(=C\COC1=CC=C(C=C1)CCNC(=O)C2=CC=CC=C2)/C(CC(C(C)(C)O)O)O
InChI
InChI=1S/C25H33NO5/c1-18(22(27)17-23(28)25(2,3)30)14-16-31-21-11-9-19(10-12-21)13-15-26-24(29)20-7-5-4-6-8-20/h4-12,14,22-23,27-28,30H,13,15-17H2,1-3H3,(H,26,29)/b18-14+
InChIKey
GDCAKUNBXRNADM-NBVRZTHBSA-N
Compound name
N-[2-[4-[(E)-4,6,7-trihydroxy-3,7-dimethyloct-2-enoxy]phenyl]ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

427.23587 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.24315 206.2
[M+Na]+ 450.22509 205.9
[M-H]- 426.22859 207.1
[M+NH4]+ 445.26969 212.7
[M+K]+ 466.19903 202.2
[M+H-H2O]+ 410.23313 197.7
[M+HCOO]- 472.23407 219.1
[M+CH3COO]- 486.24972 225.3
[M+Na-2H]- 448.21054 203.4
[M]+ 427.23532 205.8
[M]- 427.23642 205.8
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.