CID 135588744

5,8-dimethyldibenzo[b,j][1,10]phenanthroline-6,7-diol

Structural Information

Molecular Formula
C22H16N2O2
SMILES
CC1=C2C(=C(C3=C(C4=CC=CC=C4N=C3C2=NC5=CC=CC=C15)C)O)O
InChI
InChI=1S/C22H16N2O2/c1-11-13-7-3-5-9-15(13)23-19-17(11)21(25)22(26)18-12(2)14-8-4-6-10-16(14)24-20(18)19/h3-10,25-26H,1-2H3
InChIKey
PNWFWWBEUJRIDK-UHFFFAOYSA-N
Compound name
5,8-dimethylquinolino[3,2-c]acridine-6,7-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.1212 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.12848 183.0
[M+Na]+ 363.11042 196.6
[M-H]- 339.11392 186.7
[M+NH4]+ 358.15502 197.0
[M+K]+ 379.08436 188.2
[M+H-H2O]+ 323.11846 172.8
[M+HCOO]- 385.11940 198.7
[M+CH3COO]- 399.13505 193.6
[M+Na-2H]- 361.09587 191.9
[M]+ 340.12065 187.4
[M]- 340.12175 187.4
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.