CID 5272073

Chembl325830

Structural Information

Molecular Formula
C16H11FN4
SMILES
C1=CC=C2C(=C1)C3=NN=C(C(=C3N2)C4=CC=C(C=C4)F)N
InChI
InChI=1S/C16H11FN4/c17-10-7-5-9(6-8-10)13-15-14(20-21-16(13)18)11-3-1-2-4-12(11)19-15/h1-8,19H,(H2,18,21)
InChIKey
MEQVZMOWEZYURE-UHFFFAOYSA-N
Compound name
4-(4-fluorophenyl)-5H-pyridazino[4,3-b]indol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

278.09677 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.10405 161.4
[M+Na]+ 301.08599 173.6
[M-H]- 277.08949 164.4
[M+NH4]+ 296.13059 176.4
[M+K]+ 317.05993 165.1
[M+H-H2O]+ 261.09403 151.4
[M+HCOO]- 323.09497 180.7
[M+CH3COO]- 337.11062 172.9
[M+Na-2H]- 299.07144 168.3
[M]+ 278.09622 159.9
[M]- 278.09732 159.9
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.