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]+ 349.143446 182.2
[M+Na]+ 371.125388 191.6
[M-H]- 347.128894 191.0
[M+NH4]+ 366.169993 195.4
[M+K]+ 387.099328 187.8
[M+H-H2O]+ 331.133430 173.5
[M+HCOO]- 393.134371 202.9
[M+CH3COO]- 407.150021 216.0
[M+Na-2H]- 369.110836 185.1
[M]+ 348.13562142 188.2
[M]- 348.13671858 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.