CID 3042496

Brn 0566044

Structural Information

Molecular Formula
C17H15N3O2
SMILES
CCC1=C2C(=CC3=C1C(=O)NNC3=O)C4=CC=CC=C4N2C
InChI
InChI=1S/C17H15N3O2/c1-3-9-14-12(16(21)18-19-17(14)22)8-11-10-6-4-5-7-13(10)20(2)15(9)11/h4-8H,3H2,1-2H3,(H,18,21)(H,19,22)
InChIKey
QWTUJWJICWGIBW-UHFFFAOYSA-N
Compound name
5-ethyl-6-methyl-2,3-dihydropyridazino[4,5-b]carbazole-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.11642 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.12370 168.4
[M+Na]+ 316.10564 183.1
[M-H]- 292.10914 170.4
[M+NH4]+ 311.15024 184.3
[M+K]+ 332.07958 174.6
[M+H-H2O]+ 276.11368 160.4
[M+HCOO]- 338.11462 186.6
[M+CH3COO]- 352.13027 180.4
[M+Na-2H]- 314.09109 174.8
[M]+ 293.11587 172.6
[M]- 293.11697 172.6
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.