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]+ 261.11348 157.6
[M+Na]+ 283.09542 168.7
[M-H]- 259.09892 161.5
[M+NH4]+ 278.14002 173.0
[M+K]+ 299.06936 160.8
[M+H-H2O]+ 243.10346 148.3
[M+HCOO]- 305.10440 178.0
[M+CH3COO]- 319.12005 169.3
[M+Na-2H]- 281.08087 165.8
[M]+ 260.10565 156.5
[M]- 260.10675 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.