CID 135482596

Acridine-3,6-diol

Structural Information

Molecular Formula
C13H9NO2
SMILES
C1=CC(=CC2=NC3=C(C=CC(=C3)O)C=C21)O
InChI
InChI=1S/C13H9NO2/c15-10-3-1-8-5-9-2-4-11(16)7-13(9)14-12(8)6-10/h1-7,15-16H
InChIKey
LXFYIIKDJZNGST-UHFFFAOYSA-N
Compound name
acridine-3,6-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

68
Patents

211.06332 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.070596 141.9
[M+Na]+ 234.052538 153.3
[M-H]- 210.056044 144.6
[M+NH4]+ 229.097143 160.6
[M+K]+ 250.026478 147.9
[M+H-H2O]+ 194.060580 135.3
[M+HCOO]- 256.061521 162.3
[M+CH3COO]- 270.077171 155.2
[M+Na-2H]- 232.037986 152.5
[M]+ 211.06277142 143.1
[M]- 211.06386858 143.1
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