CID 5272090

Chembl117762

Structural Information

Molecular Formula
C18H16N4
SMILES
CCN1C2=CC=CC=C2C3=NN=C(C(=C31)C4=CC=CC=C4)N
InChI
InChI=1S/C18H16N4/c1-2-22-14-11-7-6-10-13(14)16-17(22)15(18(19)21-20-16)12-8-4-3-5-9-12/h3-11H,2H2,1H3,(H2,19,21)
InChIKey
KOMPIQYPXFYNRB-UHFFFAOYSA-N
Compound name
5-ethyl-4-phenylpyridazino[4,3-b]indol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

288.13748 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.14476 168.3
[M+Na]+ 311.12670 179.8
[M-H]- 287.13020 173.5
[M+NH4]+ 306.17130 183.5
[M+K]+ 327.10064 172.3
[M+H-H2O]+ 271.13474 158.4
[M+HCOO]- 333.13568 189.4
[M+CH3COO]- 347.15133 180.0
[M+Na-2H]- 309.11215 174.9
[M]+ 288.13693 169.9
[M]- 288.13803 169.9
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.