CID 21948548

Pyrazolo[1,5-a][1,3,5]triazine

Structural Information

Molecular Formula

C₅H₄N₄

SMILES

C1=C2N=CN=CN2N=C1

InChI

InChI=1S/C5H4N4/c1-2-8-9-4-6-3-7-5(1)9/h1-4H

InChIKey

JUXWUYWPUDKPSD-UHFFFAOYSA-N

Compound name

pyrazolo[1,5-a][1,3,5]triazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 11
References: 1196
Patents: 120.043594 Da
Monoisotopic Mass: 0.1
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]+	121.050870	118.4
[M+Na]+	143.032812	130.2
[M-H]-	119.036318	118.3
[M+NH4]+	138.077417	138.3
[M+K]+	159.006752	128.0
[M+H-H2O]+	103.040854	110.2
[M+HCOO]-	165.041795	141.1
[M+CH3COO]-	179.057445	133.0
[M+Na-2H]-	141.018260	130.2
[M]+	120.04304542	120.0
[M]-	120.04414258	120.0

Literature stripe

literature stripe

Patent stripe

patents stripe