CID 3052910

Brn 1123399

Structural Information

Molecular Formula

C₁₃H₁₂N₄O

SMILES

C1=CC=C(C=C1)CCN2C=NC3=C(C2=O)C=NN3

InChI

InChI=1S/C13H12N4O/c18-13-11-8-15-16-12(11)14-9-17(13)7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H,15,16)

InChIKey

GIZUAZUUKUGDLI-UHFFFAOYSA-N

Compound name

5-(2-phenylethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 240.1011 Da
Monoisotopic Mass: 1.5
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]+	241.108376	152.7
[M+Na]+	263.090318	163.9
[M-H]-	239.093824	154.5
[M+NH4]+	258.134923	167.0
[M+K]+	279.064258	157.5
[M+H-H2O]+	223.098360	143.0
[M+HCOO]-	285.099301	172.8
[M+CH3COO]-	299.114951	164.6
[M+Na-2H]-	261.075766	160.4
[M]+	240.10055142	154.0
[M]-	240.10164858	154.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe