CID 170972

51085-07-5

Structural Information

Molecular Formula
C20H12Cl2N2O2
SMILES
C1C2=C(CC3=C1NC4=C(C3=O)C=C(C=C4)Cl)NC5=C(C2=O)C=C(C=C5)Cl
InChI
InChI=1S/C20H12Cl2N2O2/c21-9-1-3-15-11(5-9)19(25)13-8-18-14(7-17(13)23-15)20(26)12-6-10(22)2-4-16(12)24-18/h1-6H,7-8H2,(H,23,25)(H,24,26)
InChIKey
QSHKTWMVEGIPMA-UHFFFAOYSA-N
Compound name
2,9-dichloro-5,6,12,13-tetrahydroquinolino[2,3-b]acridine-7,14-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

112
Patents

382.0276 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.03488 181.8
[M+Na]+ 405.01682 196.1
[M-H]- 381.02032 183.9
[M+NH4]+ 400.06142 195.4
[M+K]+ 420.99076 185.7
[M+H-H2O]+ 365.02486 173.4
[M+HCOO]- 427.02580 186.6
[M+CH3COO]- 441.04145 191.5
[M+Na-2H]- 403.00227 188.9
[M]+ 382.02705 185.6
[M]- 382.02815 185.6
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