CID 3078474

1-pyrazinylcarbonyl-5-phenyl-2-pyrazoline

Structural Information

Molecular Formula
C14H12N4O
SMILES
C1C=NN(C1C2=CC=CC=C2)C(=O)C3=NC=CN=C3
InChI
InChI=1S/C14H12N4O/c19-14(12-10-15-8-9-16-12)18-13(6-7-17-18)11-4-2-1-3-5-11/h1-5,7-10,13H,6H2
InChIKey
UPNHLOHDNOXWGN-UHFFFAOYSA-N
Compound name
(3-phenyl-3,4-dihydropyrazol-2-yl)-pyrazin-2-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

252.1011 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.10838 156.6
[M+Na]+ 275.09032 164.3
[M-H]- 251.09382 161.0
[M+NH4]+ 270.13492 169.0
[M+K]+ 291.06426 159.6
[M+H-H2O]+ 235.09836 145.3
[M+HCOO]- 297.09930 175.5
[M+CH3COO]- 311.11495 167.5
[M+Na-2H]- 273.07577 161.2
[M]+ 252.10055 154.7
[M]- 252.10165 154.7
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