CID 3042497

6h-pyridazino(4,5-b)carbazole, 1,4-dichloro-5-ethyl-

Structural Information

Molecular Formula
C16H11Cl2N3
SMILES
CCC1=C2C(=C3C=CC=CC3=N2)C=C4C1=C(NN=C4Cl)Cl
InChI
InChI=1S/C16H11Cl2N3/c1-2-8-13-11(15(17)20-21-16(13)18)7-10-9-5-3-4-6-12(9)19-14(8)10/h3-7,21H,2H2,1H3
InChIKey
SBUIKAJQQYWVSZ-UHFFFAOYSA-N
Compound name
1,4-dichloro-5-ethyl-3H-pyridazino[4,5-b]carbazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.033 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.04028 169.1
[M+Na]+ 338.02222 189.4
[M+NH4]+ 333.06682 179.3
[M+K]+ 353.99616 179.9
[M-H]- 314.02572 172.6
[M+Na-2H]- 336.00767 176.7
[M]+ 315.03245 174.0
[M]- 315.03355 174.0
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.