CID 374558

Nsc652533

Structural Information

Molecular Formula
C20H14O4Se
SMILES
CC1=C2C(=CC=C1)C(=O)C(=CO2)[Se]C3=COC4=C(C=CC=C4C3=O)C
InChI
InChI=1S/C20H14O4Se/c1-11-5-3-7-13-17(21)15(9-23-19(11)13)25-16-10-24-20-12(2)6-4-8-14(20)18(16)22/h3-10H,1-2H3
InChIKey
CLVZZTPNMOXYCF-UHFFFAOYSA-N
Compound name
8-methyl-3-(8-methyl-4-oxochromen-3-yl)selanylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.00574 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.01302 188.5
[M+Na]+ 420.99496 201.1
[M-H]- 396.99846 199.5
[M+NH4]+ 416.03956 201.6
[M+K]+ 436.96890 197.8
[M+H-H2O]+ 381.00300 178.6
[M+HCOO]- 443.00394 209.4
[M+CH3COO]- 457.01959 201.0
[M+Na-2H]- 418.98041 195.1
[M]+ 398.00519 196.3
[M]- 398.00629 196.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.