CID 89857150

Fam alkyne, 5-isomer

Structural Information

Molecular Formula
C24H15NO6
SMILES
C#CCNC(=O)C1=CC2=C(C=C1)C3(C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O)OC2=O
InChI
InChI=1S/C24H15NO6/c1-2-9-25-22(28)13-3-6-17-16(10-13)23(29)31-24(17)18-7-4-14(26)11-20(18)30-21-12-15(27)5-8-19(21)24/h1,3-8,10-12,26-27H,9H2,(H,25,28)
InChIKey
UNBAJBIGCBVWJU-UHFFFAOYSA-N
Compound name
3',6'-dihydroxy-3-oxo-N-prop-2-ynylspiro[2-benzofuran-1,9'-xanthene]-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

71
Patents

413.08994 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.09722 203.1
[M+Na]+ 436.07916 216.3
[M-H]- 412.08266 207.8
[M+NH4]+ 431.12376 214.6
[M+K]+ 452.05310 206.5
[M+H-H2O]+ 396.08720 190.0
[M+HCOO]- 458.08814 212.0
[M+CH3COO]- 472.10379 210.7
[M+Na-2H]- 434.06461 205.5
[M]+ 413.08939 200.1
[M]- 413.09049 200.1
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

patents stripe