CID 2921600

7-(2-chlorophenyl)-5-(4-chlorophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine

Structural Information

Molecular Formula

C₁₇H₁₂Cl₂N₄

SMILES

C1=CC=C(C(=C1)C2C=C(NC3=NC=NN23)C4=CC=C(C=C4)Cl)Cl

InChI

InChI=1S/C17H12Cl2N4/c18-12-7-5-11(6-8-12)15-9-16(13-3-1-2-4-14(13)19)23-17(22-15)20-10-21-23/h1-10,16H,(H,20,21,22)

InChIKey

QWTXUURPCZUESE-UHFFFAOYSA-N

Compound name

7-(2-chlorophenyl)-5-(4-chlorophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 342.0439 Da
Monoisotopic Mass: 5.0
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]+	343.051176	177.2
[M+Na]+	365.033118	188.2
[M-H]-	341.036624	180.3
[M+NH4]+	360.077723	188.2
[M+K]+	381.007058	178.6
[M+H-H2O]+	325.041160	165.9
[M+HCOO]-	387.042101	183.8
[M+CH3COO]-	401.057751	186.4
[M+Na-2H]-	363.018566	179.8
[M]+	342.04335142	177.6
[M]-	342.04444858	177.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.