CID 5272081

Chembl114475

Structural Information

Molecular Formula
C17H14N4
SMILES
CN1C2=CC=CC=C2C3=NN=C(C(=C31)C4=CC=CC=C4)N
InChI
InChI=1S/C17H14N4/c1-21-13-10-6-5-9-12(13)15-16(21)14(17(18)20-19-15)11-7-3-2-4-8-11/h2-10H,1H3,(H2,18,20)
InChIKey
VZYJHHJWTQZOTA-UHFFFAOYSA-N
Compound name
5-methyl-4-phenylpyridazino[4,3-b]indol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

274.12186 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.12914 163.8
[M+Na]+ 297.11108 175.8
[M-H]- 273.11458 169.2
[M+NH4]+ 292.15568 179.6
[M+K]+ 313.08502 168.4
[M+H-H2O]+ 257.11912 154.1
[M+HCOO]- 319.12006 185.2
[M+CH3COO]- 333.13571 176.0
[M+Na-2H]- 295.09653 170.9
[M]+ 274.12131 165.1
[M]- 274.12241 165.1
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.