CID 345743

28560-95-4

Structural Information

Molecular Formula
C19H12N2O3
SMILES
C1=CC=C2C(=C1)C3(C4=CC=CC=C4O2)C5=C(C=CC(=C5N=N3)O)O
InChI
InChI=1S/C19H12N2O3/c22-13-9-10-14(23)18-17(13)19(21-20-18)11-5-1-3-7-15(11)24-16-8-4-2-6-12(16)19/h1-10,22-23H
InChIKey
WZGLLGFNWAQZNW-UHFFFAOYSA-N
Compound name
spiro[indazole-3,9'-xanthene]-4,7-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.08478 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.09206 171.1
[M+Na]+ 339.07400 182.9
[M-H]- 315.07750 176.2
[M+NH4]+ 334.11860 187.4
[M+K]+ 355.04794 176.9
[M+H-H2O]+ 299.08204 161.9
[M+HCOO]- 361.08298 186.0
[M+CH3COO]- 375.09863 182.3
[M+Na-2H]- 337.05945 179.4
[M]+ 316.08423 172.4
[M]- 316.08533 172.4
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.