CID 5272097

4-(2-chlorophenyl)-5-phenyl-pyridazino[4,3-b]indol-3-amine

Structural Information

Molecular Formula
C22H15ClN4
SMILES
C1=CC=C(C=C1)N2C3=CC=CC=C3C4=NN=C(C(=C42)C5=CC=CC=C5Cl)N
InChI
InChI=1S/C22H15ClN4/c23-17-12-6-4-10-15(17)19-21-20(25-26-22(19)24)16-11-5-7-13-18(16)27(21)14-8-2-1-3-9-14/h1-13H,(H2,24,26)
InChIKey
SVBMSNFXLOSYQP-UHFFFAOYSA-N
Compound name
4-(2-chlorophenyl)-5-phenylpyridazino[4,3-b]indol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

370.0985 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.10578 188.7
[M+Na]+ 393.08772 201.1
[M-H]- 369.09122 196.6
[M+NH4]+ 388.13232 200.9
[M+K]+ 409.06166 191.0
[M+H-H2O]+ 353.09576 177.3
[M+HCOO]- 415.09670 204.6
[M+CH3COO]- 429.11235 199.1
[M+Na-2H]- 391.07317 193.8
[M]+ 370.09795 191.7
[M]- 370.09905 191.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.