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

53
Patents

413.08994 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.097216 203.1
[M+Na]+ 436.079158 216.3
[M-H]- 412.082664 207.8
[M+NH4]+ 431.123763 214.6
[M+K]+ 452.053098 206.5
[M+H-H2O]+ 396.087200 190.0
[M+HCOO]- 458.088141 212.0
[M+CH3COO]- 472.103791 210.7
[M+Na-2H]- 434.064606 205.5
[M]+ 413.08939142 200.1
[M]- 413.09048858 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