CID 5272072

4-phenyl-5h-pyridazino[4,3-b]indol-3-amine

Structural Information

Molecular Formula
C16H12N4
SMILES
C1=CC=C(C=C1)C2=C3C(=NN=C2N)C4=CC=CC=C4N3
InChI
InChI=1S/C16H12N4/c17-16-13(10-6-2-1-3-7-10)15-14(19-20-16)11-8-4-5-9-12(11)18-15/h1-9,18H,(H2,17,20)
InChIKey
DHDZFJQQXROKLC-UHFFFAOYSA-N
Compound name
4-phenyl-5H-pyridazino[4,3-b]indol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

260.1062 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.113476 157.6
[M+Na]+ 283.095418 168.7
[M-H]- 259.098924 161.5
[M+NH4]+ 278.140023 173.0
[M+K]+ 299.069358 160.8
[M+H-H2O]+ 243.103460 148.3
[M+HCOO]- 305.104401 178.0
[M+CH3COO]- 319.120051 169.3
[M+Na-2H]- 281.080866 165.8
[M]+ 260.10565142 156.5
[M]- 260.10674858 156.5
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.