CID 15958085

Chembl583250

Structural Information

Molecular Formula

SMILES

CC(C)C1=C(C=NC2=C(C=NN12)C3=NNN=N3)C4=CC=C(C=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C23H21N7O/c1-15(2)21-19(12-24-23-20(13-25-30(21)23)22-26-28-29-27-22)17-8-10-18(11-9-17)31-14-16-6-4-3-5-7-16/h3-13,15H,14H2,1-2H3,(H,26,27,28,29)

InChIKey

CGCUUBBQFCGLJG-UHFFFAOYSA-N

Compound name

6-(4-phenylmethoxyphenyl)-7-propan-2-yl-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine

Related CIDs

2D Structure

1
Annotation Hits: 1
References: 4
Patents: 411.18076 Da
Monoisotopic Mass: 3.8
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]+	412.18804	197.5
[M+Na]+	434.16998	207.0
[M-H]-	410.17348	202.6
[M+NH4]+	429.21458	201.7
[M+K]+	450.14392	198.1
[M+H-H2O]+	394.17802	184.1
[M+HCOO]-	456.17896	211.8
[M+CH3COO]-	470.19461	205.1
[M+Na-2H]-	432.15543	198.3
[M]+	411.18021	199.9
[M]-	411.18131	199.9

Literature stripe

Patent stripe