CID 3076101

Brn 3623576

Structural Information

Molecular Formula
C18H13FN4
SMILES
CC1=NN=C2N1N=C(C=C2C3=CC=CC=C3)C4=CC=C(C=C4)F
InChI
InChI=1S/C18H13FN4/c1-12-20-21-18-16(13-5-3-2-4-6-13)11-17(22-23(12)18)14-7-9-15(19)10-8-14/h2-11H,1H3
InChIKey
SJUULSIOLOKJLN-UHFFFAOYSA-N
Compound name
6-(4-fluorophenyl)-3-methyl-8-phenyl-[1,2,4]triazolo[4,3-b]pyridazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.11243 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.11971 171.3
[M+Na]+ 327.10165 183.7
[M-H]- 303.10515 176.5
[M+NH4]+ 322.14625 183.5
[M+K]+ 343.07559 175.5
[M+H-H2O]+ 287.10969 159.0
[M+HCOO]- 349.11063 190.8
[M+CH3COO]- 363.12628 182.6
[M+Na-2H]- 325.08710 176.7
[M]+ 304.11188 172.5
[M]- 304.11298 172.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.