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

1
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

patents stripe