CID 15596285

4'-o-methylalpinumisoflavone

Structural Information

Molecular Formula
C21H18O5
SMILES
CC1(C=CC2=C(O1)C=C3C(=C2O)C(=O)C(=CO3)C4=CC=C(C=C4)OC)C
InChI
InChI=1S/C21H18O5/c1-21(2)9-8-14-16(26-21)10-17-18(19(14)22)20(23)15(11-25-17)12-4-6-13(24-3)7-5-12/h4-11,22H,1-3H3
InChIKey
QJSPPBAASCPSJB-UHFFFAOYSA-N
Compound name
5-hydroxy-7-(4-methoxyphenyl)-2,2-dimethylpyrano[3,2-g]chromen-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

210
Patents

350.11542 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.12270 181.4
[M+Na]+ 373.10464 192.8
[M-H]- 349.10814 191.2
[M+NH4]+ 368.14924 195.6
[M+K]+ 389.07858 190.9
[M+H-H2O]+ 333.11268 172.5
[M+HCOO]- 395.11362 198.8
[M+CH3COO]- 409.12927 193.5
[M+Na-2H]- 371.09009 188.5
[M]+ 350.11487 187.4
[M]- 350.11597 187.4
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