CID 134815172

Diazaquinomycin j

Structural Information

Molecular Formula
C23H28N2O4
SMILES
CC1=CC(=O)NC2=C1C(=O)C3=C(C2=O)NC(=O)C=C3CCCCCCCC(C)C
InChI
InChI=1S/C23H28N2O4/c1-13(2)9-7-5-4-6-8-10-15-12-17(27)25-21-19(15)22(28)18-14(3)11-16(26)24-20(18)23(21)29/h11-13H,4-10H2,1-3H3,(H,24,26)(H,25,27)
InChIKey
KFKOTHCXRDTJMM-UHFFFAOYSA-N
Compound name
6-methyl-4-(8-methylnonyl)-1,9-dihydropyrido[3,2-g]quinoline-2,5,8,10-tetrone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.2049 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.21218 197.6
[M+Na]+ 419.19412 206.0
[M-H]- 395.19762 197.4
[M+NH4]+ 414.23872 207.4
[M+K]+ 435.16806 198.6
[M+H-H2O]+ 379.20216 188.7
[M+HCOO]- 441.20310 209.8
[M+CH3COO]- 455.21875 224.5
[M+Na-2H]- 417.17957 196.7
[M]+ 396.20435 200.6
[M]- 396.20545 200.6
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

No patent data available for this compound.