CID 3443346

5,7-bis(4-chlorophenyl)-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine

Structural Information

Molecular Formula
C17H12Cl2N4
SMILES
C1=CC(=CC=C1C2C=C(NC3=NC=NN23)C4=CC=C(C=C4)Cl)Cl
InChI
InChI=1S/C17H12Cl2N4/c18-13-5-1-11(2-6-13)15-9-16(12-3-7-14(19)8-4-12)23-17(22-15)20-10-21-23/h1-10,16H,(H,20,21,22)
InChIKey
VIOLGXYHWSZXFD-UHFFFAOYSA-N
Compound name
5,7-bis(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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.05118 177.2
[M+Na]+ 365.03312 188.2
[M-H]- 341.03662 180.3
[M+NH4]+ 360.07772 188.2
[M+K]+ 381.00706 178.6
[M+H-H2O]+ 325.04116 165.9
[M+HCOO]- 387.04210 183.8
[M+CH3COO]- 401.05775 186.4
[M+Na-2H]- 363.01857 179.8
[M]+ 342.04335 177.6
[M]- 342.04445 177.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.