CID 402917

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

Structural Information

Molecular Formula
C15H11ClN4S
SMILES
C1=CSC(=C1)C2=CC(N3C(=NC=N3)N2)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C15H11ClN4S/c16-11-5-3-10(4-6-11)13-8-12(14-2-1-7-21-14)19-15-17-9-18-20(13)15/h1-9,13H,(H,17,18,19)
InChIKey
HMJBJENBLPCCGC-UHFFFAOYSA-N
Compound name
7-(4-chlorophenyl)-5-thiophen-2-yl-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

314.0393 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.04658 167.1
[M+Na]+ 337.02852 184.0
[M+NH4]+ 332.07312 176.4
[M+K]+ 353.00246 176.6
[M-H]- 313.03202 172.0
[M+Na-2H]- 335.01397 176.4
[M]+ 314.03875 171.8
[M]- 314.03985 171.8
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.