CID 295934

Deoxynyboquinone

Structural Information

Molecular Formula
C15H12N2O4
SMILES
CC1=CC(=O)NC2=C1C(=O)C3=C(C2=O)N(C(=O)C=C3C)C
InChI
InChI=1S/C15H12N2O4/c1-6-4-8(18)16-12-10(6)14(20)11-7(2)5-9(19)17(3)13(11)15(12)21/h4-5H,1-3H3,(H,16,18)
InChIKey
KJYPAIRTXRKKHG-UHFFFAOYSA-N
Compound name
1,4,6-trimethyl-9H-pyrido[3,2-g]quinoline-2,5,8,10-tetrone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

373
Patents

284.0797 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.08698 161.0
[M+Na]+ 307.06892 174.9
[M-H]- 283.07242 164.2
[M+NH4]+ 302.11352 176.7
[M+K]+ 323.04286 169.4
[M+H-H2O]+ 267.07696 153.6
[M+HCOO]- 329.07790 178.6
[M+CH3COO]- 343.09355 203.5
[M+Na-2H]- 305.05437 165.3
[M]+ 284.07915 164.4
[M]- 284.08025 164.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe