CID 388893

Nsc684119

Structural Information

Molecular Formula
C17H16N2O5
SMILES
CN(C)N1C=CC(C2=C1C(=O)C3=C(C2=O)C(=CC=C3)O)C(=O)OC
InChI
InChI=1S/C17H16N2O5/c1-18(2)19-8-7-10(17(23)24-3)13-14(19)15(21)9-5-4-6-11(20)12(9)16(13)22/h4-8,10,20H,1-3H3
InChIKey
BQUIYVYCBJPAOT-UHFFFAOYSA-N
Compound name
methyl 1-(dimethylamino)-6-hydroxy-5,10-dioxo-4H-benzo[g]quinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.10593 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.11321 171.3
[M+Na]+ 351.09515 180.0
[M-H]- 327.09865 175.8
[M+NH4]+ 346.13975 186.0
[M+K]+ 367.06909 177.8
[M+H-H2O]+ 311.10319 163.6
[M+HCOO]- 373.10413 188.8
[M+CH3COO]- 387.11978 215.9
[M+Na-2H]- 349.08060 174.2
[M]+ 328.10538 174.6
[M]- 328.10648 174.6
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.