CID 877236

1-phenyl-3-(pyridin-4-yl)-1h-pyrazole-4-carbaldehyde

Structural Information

Molecular Formula
C15H11N3O
SMILES
C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=NC=C3)C=O
InChI
InChI=1S/C15H11N3O/c19-11-13-10-18(14-4-2-1-3-5-14)17-15(13)12-6-8-16-9-7-12/h1-11H
InChIKey
RPXJROJLJRFFOF-UHFFFAOYSA-N
Compound name
1-phenyl-3-pyridin-4-ylpyrazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

2
Patents

249.09021 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.09749 155.3
[M+Na]+ 272.07943 164.9
[M-H]- 248.08293 161.5
[M+NH4]+ 267.12403 169.7
[M+K]+ 288.05337 159.4
[M+H-H2O]+ 232.08747 144.9
[M+HCOO]- 294.08841 177.8
[M+CH3COO]- 308.10406 167.6
[M+Na-2H]- 270.06488 160.9
[M]+ 249.08966 155.8
[M]- 249.09076 155.8
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

patents stripe