CID 5288238

3-(4-fluorophenyl)-1-hydroxy-2-(pyridin-4-yl)-1h-pyrrolo[3,2-b]pyridine

Structural Information

Molecular Formula
C18H12FN3O
SMILES
C1=CC2=C(C(=C(N2O)C3=CC=NC=C3)C4=CC=C(C=C4)F)N=C1
InChI
InChI=1S/C18H12FN3O/c19-14-5-3-12(4-6-14)16-17-15(2-1-9-21-17)22(23)18(16)13-7-10-20-11-8-13/h1-11,23H
InChIKey
ZSMYZLKEZDYVPI-UHFFFAOYSA-N
Compound name
3-(4-fluorophenyl)-1-hydroxy-2-pyridin-4-ylpyrrolo[3,2-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

305.09644 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.10372 169.3
[M+Na]+ 328.08566 181.1
[M-H]- 304.08916 174.8
[M+NH4]+ 323.13026 182.2
[M+K]+ 344.05960 173.2
[M+H-H2O]+ 288.09370 158.2
[M+HCOO]- 350.09464 189.1
[M+CH3COO]- 364.11029 180.7
[M+Na-2H]- 326.07111 174.6
[M]+ 305.09589 169.8
[M]- 305.09699 169.8
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

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