CID 3042495

Brn 0560622

Structural Information

Molecular Formula
C16H13N3O2
SMILES
CC1=C2C(=CC3=C1C(=O)NNC3=O)C4=CC=CC=C4N2C
InChI
InChI=1S/C16H13N3O2/c1-8-13-11(15(20)17-18-16(13)21)7-10-9-5-3-4-6-12(9)19(2)14(8)10/h3-7H,1-2H3,(H,17,20)(H,18,21)
InChIKey
ISBQRLISMAKJRG-UHFFFAOYSA-N
Compound name
5,6-dimethyl-2,3-dihydropyridazino[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

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.10805 163.7
[M+Na]+ 302.08999 179.0
[M-H]- 278.09349 166.0
[M+NH4]+ 297.13459 180.3
[M+K]+ 318.06393 170.7
[M+H-H2O]+ 262.09803 156.0
[M+HCOO]- 324.09897 182.4
[M+CH3COO]- 338.11462 176.2
[M+Na-2H]- 300.07544 170.8
[M]+ 279.10022 167.7
[M]- 279.10132 167.7
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.