CID 3048767

Su-15335

Structural Information

Molecular Formula
C14H12FN3O
SMILES
CCC1=NN(C2=C1C=CNC2=O)C3=CC=C(C=C3)F
InChI
InChI=1S/C14H12FN3O/c1-2-12-11-7-8-16-14(19)13(11)18(17-12)10-5-3-9(15)4-6-10/h3-8H,2H2,1H3,(H,16,19)
InChIKey
ULWVYGBMCGZXKZ-UHFFFAOYSA-N
Compound name
3-ethyl-1-(4-fluorophenyl)-6H-pyrazolo[3,4-c]pyridin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

257.09644 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.10372 155.9
[M+Na]+ 280.08566 168.5
[M-H]- 256.08916 158.4
[M+NH4]+ 275.13026 171.5
[M+K]+ 296.05960 161.7
[M+H-H2O]+ 240.09370 146.4
[M+HCOO]- 302.09464 176.1
[M+CH3COO]- 316.11029 168.3
[M+Na-2H]- 278.07111 161.1
[M]+ 257.09589 157.0
[M]- 257.09699 157.0
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

patents stripe