CID 117875

Dibenzo[a,h]phenazine-1,8-diol

Structural Information

Molecular Formula
C20H12N2O2
SMILES
C1=CC2=C(C(=C1)O)C3=C(C=C2)NC4=C5C(=CC=CC5=O)C=CC4=N3
InChI
InChI=1S/C20H12N2O2/c23-15-5-1-3-11-7-9-13-19(17(11)15)21-14-10-8-12-4-2-6-16(24)18(12)20(14)22-13/h1-10,21,24H
InChIKey
RPRGEWDOVJZDPE-UHFFFAOYSA-N
Compound name
16-hydroxy-2,13-diazapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3,6,8,10,12,15(20),16,18,21-decaen-5-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

6
Patents

312.08987 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.09715 170.4
[M+Na]+ 335.07909 183.6
[M-H]- 311.08259 173.8
[M+NH4]+ 330.12369 185.1
[M+K]+ 351.05303 174.8
[M+H-H2O]+ 295.08713 160.5
[M+HCOO]- 357.08807 187.2
[M+CH3COO]- 371.10372 181.5
[M+Na-2H]- 333.06454 182.2
[M]+ 312.08932 172.9
[M]- 312.09042 172.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe