CID 21721890

Trans-tephrostachin

Structural Information

Molecular Formula
C22H22O5
SMILES
CC(C)(/C=C/C1=C2C(=C(C=C1OC)OC)C(=O)C=C(O2)C3=CC=CC=C3)O
InChI
InChI=1S/C22H22O5/c1-22(2,24)11-10-15-18(25-3)13-19(26-4)20-16(23)12-17(27-21(15)20)14-8-6-5-7-9-14/h5-13,24H,1-4H3/b11-10+
InChIKey
CYPXFTCVCNFZNY-ZHACJKMWSA-N
Compound name
8-[(E)-3-hydroxy-3-methylbut-1-enyl]-5,7-dimethoxy-2-phenylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.14673 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.15401 187.2
[M+Na]+ 389.13595 196.3
[M-H]- 365.13945 194.8
[M+NH4]+ 384.18055 199.1
[M+K]+ 405.10989 193.1
[M+H-H2O]+ 349.14399 178.9
[M+HCOO]- 411.14493 205.7
[M+CH3COO]- 425.16058 216.2
[M+Na-2H]- 387.12140 191.9
[M]+ 366.14618 193.6
[M]- 366.14728 193.6
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.