CID 3042494

Brn 0551673

Structural Information

Molecular Formula
C16H13N3O2
SMILES
CCC1=C2C(=CC3=C1C(=O)NNC3=O)C4=CC=CC=C4N2
InChI
InChI=1S/C16H13N3O2/c1-2-8-13-11(15(20)18-19-16(13)21)7-10-9-5-3-4-6-12(9)17-14(8)10/h3-7,17H,2H2,1H3,(H,18,20)(H,19,21)
InChIKey
RKZOTYIZEIJHGS-UHFFFAOYSA-N
Compound name
5-ethyl-3,6-dihydro-2H-pyridazino[4,5-b]carbazole-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.10077 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.10805 162.9
[M+Na]+ 302.08999 176.9
[M-H]- 278.09349 163.4
[M+NH4]+ 297.13459 178.5
[M+K]+ 318.06393 167.8
[M+H-H2O]+ 262.09803 155.3
[M+HCOO]- 324.09897 180.1
[M+CH3COO]- 338.11462 174.5
[M+Na-2H]- 300.07544 170.4
[M]+ 279.10022 164.8
[M]- 279.10132 164.8
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.