CID 2834904

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

Structural Information

Molecular Formula
C17H13ClN4
SMILES
C1=CC=C(C=C1)C2=CC(N3C(=NC=N3)N2)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C17H13ClN4/c18-14-8-6-13(7-9-14)16-10-15(12-4-2-1-3-5-12)21-17-19-11-20-22(16)17/h1-11,16H,(H,19,20,21)
InChIKey
QJXUSTBBAIGSOR-UHFFFAOYSA-N
Compound name
7-(4-chlorophenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

308.0829 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.09018 171.1
[M+Na]+ 331.07212 189.0
[M+NH4]+ 326.11672 179.9
[M+K]+ 347.04606 181.0
[M-H]- 307.07562 176.3
[M+Na-2H]- 329.05757 181.5
[M]+ 308.08235 175.6
[M]- 308.08345 175.6
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

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