CID 56842367

Einecs 254-100-6

Structural Information

Molecular Formula
C20H10Cl2N2O2
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(N2)C(=C4C(=C3Cl)NC5=CC=CC=C5C4=O)Cl
InChI
InChI=1S/C20H10Cl2N2O2/c21-15-13-17(23-11-7-3-1-5-9(11)19(13)25)16(22)14-18(15)24-12-8-4-2-6-10(12)20(14)26/h1-8H,(H,23,25)(H,24,26)
InChIKey
UFLLEPHODSEMJD-UHFFFAOYSA-N
Compound name
6,13-dichloro-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

380.01193 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.01921 180.8
[M+Na]+ 403.00115 197.0
[M-H]- 379.00465 183.7
[M+NH4]+ 398.04575 194.7
[M+K]+ 418.97509 186.4
[M+H-H2O]+ 363.00919 172.4
[M+HCOO]- 425.01013 188.3
[M+CH3COO]- 439.02578 191.5
[M+Na-2H]- 400.98660 189.8
[M]+ 380.01138 187.4
[M]- 380.01248 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.