CID 122105

Diazaquinomycin a

Structural Information

Molecular Formula
C20H22N2O4
SMILES
CCCC1=C(C(=O)NC2=C1C(=O)C3=C(C2=O)NC(=O)C(=C3CCC)C)C
InChI
InChI=1S/C20H22N2O4/c1-5-7-11-9(3)19(25)21-15-13(11)17(23)14-12(8-6-2)10(4)20(26)22-16(14)18(15)24/h5-8H2,1-4H3,(H,21,25)(H,22,26)
InChIKey
WZZGVUSWZMBPPL-UHFFFAOYSA-N
Compound name
3,7-dimethyl-4,6-dipropyl-1,9-dihydropyrido[3,2-g]quinoline-2,5,8,10-tetrone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

13
Patents

354.15796 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.16524 186.3
[M+Na]+ 377.14718 201.0
[M+NH4]+ 372.19178 191.4
[M+K]+ 393.12112 193.9
[M-H]- 353.15068 186.5
[M+Na-2H]- 375.13263 187.6
[M]+ 354.15741 188.3
[M]- 354.15851 188.3
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