CID 71472183

Nostocionone

Structural Information

Molecular Formula
C22H28O4
SMILES
CC1=C(C(CCC1)(C)C)/C=C/C(=O)/C=C/C2=CC(=C(C(=C2)OC)O)OC
InChI
InChI=1S/C22H28O4/c1-15-7-6-12-22(2,3)18(15)11-10-17(23)9-8-16-13-19(25-4)21(24)20(14-16)26-5/h8-11,13-14,24H,6-7,12H2,1-5H3/b9-8+,11-10+
InChIKey
UXASDRVSRFWWJJ-BNFZFUHLSA-N
Compound name
(1E,4E)-1-(4-hydroxy-3,5-dimethoxyphenyl)-5-(2,6,6-trimethylcyclohexen-1-yl)penta-1,4-dien-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

356.19876 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.20604 184.8
[M+Na]+ 379.18798 191.5
[M-H]- 355.19148 190.0
[M+NH4]+ 374.23258 199.6
[M+K]+ 395.16192 187.1
[M+H-H2O]+ 339.19602 178.0
[M+HCOO]- 401.19696 202.5
[M+CH3COO]- 415.21261 215.1
[M+Na-2H]- 377.17343 183.2
[M]+ 356.19821 187.3
[M]- 356.19931 187.3
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