CID 131751269

4'-o-methylkanzonol w

Structural Information

Molecular Formula
C21H18O5
SMILES
CC1(C=CC2=C(O1)C=CC3=C2OC(=O)C(=C3)C4=C(C=C(C=C4)OC)O)C
InChI
InChI=1S/C21H18O5/c1-21(2)9-8-15-18(26-21)7-4-12-10-16(20(23)25-19(12)15)14-6-5-13(24-3)11-17(14)22/h4-11,22H,1-3H3
InChIKey
HYXYVJUECMXNLJ-UHFFFAOYSA-N
Compound name
3-(2-hydroxy-4-methoxyphenyl)-8,8-dimethylpyrano[2,3-f]chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

350.11542 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.122696 181.4
[M+Na]+ 373.104638 192.8
[M-H]- 349.108144 191.2
[M+NH4]+ 368.149243 195.6
[M+K]+ 389.078578 190.9
[M+H-H2O]+ 333.112680 172.5
[M+HCOO]- 395.113621 198.8
[M+CH3COO]- 409.129271 193.5
[M+Na-2H]- 371.090086 188.5
[M]+ 350.11487142 187.4
[M]- 350.11596858 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