CID 347646

28560-97-6

Structural Information

Molecular Formula
C23H14N2O3
SMILES
C1=CC=C2C(=C1)C(=C3C(=C2O)N=NC34C5=CC=CC=C5OC6=CC=CC=C46)O
InChI
InChI=1S/C23H14N2O3/c26-21-13-7-1-2-8-14(13)22(27)20-19(21)23(25-24-20)15-9-3-5-11-17(15)28-18-12-6-4-10-16(18)23/h1-12,26-27H
InChIKey
YFMCYRZSEQIRKF-UHFFFAOYSA-N
Compound name
spiro[benzo[f]indazole-3,9'-xanthene]-4,9-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.10043 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.10771 184.6
[M+Na]+ 389.08965 196.3
[M-H]- 365.09315 190.5
[M+NH4]+ 384.13425 199.4
[M+K]+ 405.06359 189.2
[M+H-H2O]+ 349.09769 173.8
[M+HCOO]- 411.09863 197.4
[M+CH3COO]- 425.11428 194.6
[M+Na-2H]- 387.07510 192.2
[M]+ 366.09988 185.9
[M]- 366.10098 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.