CID 3042493

Brn 0548008

Structural Information

Molecular Formula
C15H11N3O2
SMILES
CC1=C2C(=CC3=C1C(=O)NNC3=O)C4=CC=CC=C4N2
InChI
InChI=1S/C15H11N3O2/c1-7-12-10(14(19)17-18-15(12)20)6-9-8-4-2-3-5-11(8)16-13(7)9/h2-6,16H,1H3,(H,17,19)(H,18,20)
InChIKey
YVJACKQAGUMGDH-UHFFFAOYSA-N
Compound name
5-methyl-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

265.0851 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.09238 158.3
[M+Na]+ 288.07432 172.8
[M-H]- 264.07782 159.1
[M+NH4]+ 283.11892 174.5
[M+K]+ 304.04826 163.9
[M+H-H2O]+ 248.08236 151.0
[M+HCOO]- 310.08330 175.9
[M+CH3COO]- 324.09895 170.4
[M+Na-2H]- 286.05977 166.4
[M]+ 265.08455 159.9
[M]- 265.08565 159.9
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.