CID 6442711

Glabrachromene ii

Structural Information

Molecular Formula
C21H18O5
SMILES
CC1(C=CC2=C(O1)C=CC(=C2O)C(=O)/C=C/C3=CC4=C(C=C3)OCO4)C
InChI
InChI=1S/C21H18O5/c1-21(2)10-9-15-17(26-21)8-5-14(20(15)23)16(22)6-3-13-4-7-18-19(11-13)25-12-24-18/h3-11,23H,12H2,1-2H3/b6-3+
InChIKey
WKEIAFLNVZWDKU-ZZXKWVIFSA-N
Compound name
(E)-3-(1,3-benzodioxol-5-yl)-1-(5-hydroxy-2,2-dimethylchromen-6-yl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

350.11542 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.12270 181.9
[M+Na]+ 373.10464 190.7
[M-H]- 349.10814 191.4
[M+NH4]+ 368.14924 196.0
[M+K]+ 389.07858 189.3
[M+H-H2O]+ 333.11268 175.3
[M+HCOO]- 395.11362 197.1
[M+CH3COO]- 409.12927 193.2
[M+Na-2H]- 371.09009 186.2
[M]+ 350.11487 185.9
[M]- 350.11597 185.9
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.