CID 5272084

Chembl116668

Structural Information

Molecular Formula
C17H13FN4
SMILES
CN1C2=CC=CC=C2C3=NN=C(C(=C31)C4=CC=CC=C4F)N
InChI
InChI=1S/C17H13FN4/c1-22-13-9-5-3-7-11(13)15-16(22)14(17(19)21-20-15)10-6-2-4-8-12(10)18/h2-9H,1H3,(H2,19,21)
InChIKey
RDEZKGSYBRWCRR-UHFFFAOYSA-N
Compound name
4-(2-fluorophenyl)-5-methylpyridazino[4,3-b]indol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

292.11243 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.11971 167.7
[M+Na]+ 315.10165 180.6
[M-H]- 291.10515 172.1
[M+NH4]+ 310.14625 183.0
[M+K]+ 331.07559 172.8
[M+H-H2O]+ 275.10969 157.2
[M+HCOO]- 337.11063 188.0
[M+CH3COO]- 351.12628 179.6
[M+Na-2H]- 313.08710 173.4
[M]+ 292.11188 168.5
[M]- 292.11298 168.5
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.