CID 44257639

Trans-anhydrotephrostachin

Structural Information

Molecular Formula
C22H20O4
SMILES
CC(=C)/C=C/C1=C2C(=C(C=C1OC)OC)C(=O)C=C(O2)C3=CC=CC=C3
InChI
InChI=1S/C22H20O4/c1-14(2)10-11-16-19(24-3)13-20(25-4)21-17(23)12-18(26-22(16)21)15-8-6-5-7-9-15/h5-13H,1H2,2-4H3/b11-10+
InChIKey
HEORSHPDPZGZCN-ZHACJKMWSA-N
Compound name
5,7-dimethoxy-8-[(1E)-3-methylbuta-1,3-dienyl]-2-phenylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.13617 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.14345 182.2
[M+Na]+ 371.12539 191.6
[M-H]- 347.12889 191.0
[M+NH4]+ 366.16999 195.4
[M+K]+ 387.09933 187.8
[M+H-H2O]+ 331.13343 173.5
[M+HCOO]- 393.13437 202.9
[M+CH3COO]- 407.15002 216.0
[M+Na-2H]- 369.11084 185.1
[M]+ 348.13562 188.2
[M]- 348.13672 188.2
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

No patent data available for this compound.