CID 3078467

1-(3-pyridylcarbonyl)-5-phenyl-2-pyrazoline

Structural Information

Molecular Formula
C15H13N3O
SMILES
C1C=NN(C1C2=CC=CC=C2)C(=O)C3=CN=CC=C3
InChI
InChI=1S/C15H13N3O/c19-15(13-7-4-9-16-11-13)18-14(8-10-17-18)12-5-2-1-3-6-12/h1-7,9-11,14H,8H2
InChIKey
SLVDOKPCWYCNDL-UHFFFAOYSA-N
Compound name
(3-phenyl-3,4-dihydropyrazol-2-yl)-pyridin-3-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

36
Patents

251.10587 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.11315 157.4
[M+Na]+ 274.09509 172.1
[M+NH4]+ 269.13969 165.3
[M+K]+ 290.06903 166.5
[M-H]- 250.09859 161.7
[M+Na-2H]- 272.08054 167.8
[M]+ 251.10532 160.7
[M]- 251.10642 160.7
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