CID 3078474

121306-65-8

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: 17
Patents: 252.1011 Da
Monoisotopic Mass: 0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	253.108376	156.6
[M+Na]+	275.090318	164.3
[M-H]-	251.093824	161.0
[M+NH4]+	270.134923	169.0
[M+K]+	291.064258	159.6
[M+H-H2O]+	235.098360	145.3
[M+HCOO]-	297.099301	175.5
[M+CH3COO]-	311.114951	167.5
[M+Na-2H]-	273.075766	161.2
[M]+	252.10055142	154.7
[M]-	252.10164858	154.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe