CID 9928190

Hirsutanonol

Structural Information

Molecular Formula
C19H22O6
SMILES
C1=CC(=C(C=C1CC[C@@H](CC(=O)CCC2=CC(=C(C=C2)O)O)O)O)O
InChI
InChI=1S/C19H22O6/c20-14(5-1-12-3-7-16(22)18(24)9-12)11-15(21)6-2-13-4-8-17(23)19(25)10-13/h3-4,7-10,14,20,22-25H,1-2,5-6,11H2/t14-/m0/s1
InChIKey
MVIYWFBLVAFZID-AWEZNQCLSA-N
Compound name
(5S)-1,7-bis(3,4-dihydroxyphenyl)-5-hydroxyheptan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

7
Patents

346.14163 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.14891 180.7
[M+Na]+ 369.13085 185.4
[M-H]- 345.13435 180.7
[M+NH4]+ 364.17545 190.3
[M+K]+ 385.10479 180.9
[M+H-H2O]+ 329.13889 173.3
[M+HCOO]- 391.13983 195.0
[M+CH3COO]- 405.15548 204.0
[M+Na-2H]- 367.11630 178.7
[M]+ 346.14108 180.5
[M]- 346.14218 180.5
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