CID 15957963

Chembl584119

Structural Information

Molecular Formula

SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)C3=C(N4C(=C(C=N4)C5=NNN=N5)N=C3)C6=CC=CC=C6

InChI

InChI=1S/C26H19N7O/c1-3-7-18(8-4-1)17-34-21-13-11-19(12-14-21)22-15-27-26-23(25-29-31-32-30-25)16-28-33(26)24(22)20-9-5-2-6-10-20/h1-16H,17H2,(H,29,30,31,32)

InChIKey

XURMEZUDHPYADJ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

1
Annotation Hits: 1
References: 5
Patents: 445.1651 Da
Monoisotopic Mass: 4.3
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]+	446.17238	202.9
[M+Na]+	468.15432	212.3
[M-H]-	444.15782	210.6
[M+NH4]+	463.19892	204.9
[M+K]+	484.12826	201.6
[M+H-H2O]+	428.16236	188.1
[M+HCOO]-	490.16330	217.7
[M+CH3COO]-	504.17895	209.9
[M+Na-2H]-	466.13977	205.1
[M]+	445.16455	203.7
[M]-	445.16565	203.7

Literature stripe

Patent stripe