CID 337129

Nsc353907

Structural Information

Molecular Formula
C18H12Cl2N2O2
SMILES
CC1=C(C(=O)C2=C(N1)C3=C(C=C2)C4=C(C=C3)C(=O)C(=C(N4)C)Cl)Cl
InChI
InChI=1S/C18H12Cl2N2O2/c1-7-13(19)17(23)11-5-4-10-9(15(11)21-7)3-6-12-16(10)22-8(2)14(20)18(12)24/h3-6H,1-2H3,(H,21,23)(H,22,24)
InChIKey
PSCKQHXFENVLLT-UHFFFAOYSA-N
Compound name
2,8-dichloro-3,9-dimethyl-4,10-dihydroquinolino[8,7-h]quinoline-1,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.0276 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.03488 177.4
[M+Na]+ 381.01682 193.4
[M-H]- 357.02032 179.5
[M+NH4]+ 376.06142 191.9
[M+K]+ 396.99076 183.6
[M+H-H2O]+ 341.02486 170.5
[M+HCOO]- 403.02580 184.7
[M+CH3COO]- 417.04145 188.5
[M+Na-2H]- 379.00227 183.0
[M]+ 358.02705 183.6
[M]- 358.02815 183.6
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

No patent data available for this compound.