CID 2921650

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

Structural Information

Molecular Formula
C17H13BrN4
SMILES
C1=CC=C(C=C1)C2C=C(NC3=NC=NN23)C4=CC=C(C=C4)Br
InChI
InChI=1S/C17H13BrN4/c18-14-8-6-12(7-9-14)15-10-16(13-4-2-1-3-5-13)22-17(21-15)19-11-20-22/h1-11,16H,(H,19,20,21)
InChIKey
RNYMECOMQAOMKH-UHFFFAOYSA-N
Compound name
5-(4-bromophenyl)-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

352.03235 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.03963 174.2
[M+Na]+ 375.02157 185.9
[M-H]- 351.02507 181.0
[M+NH4]+ 370.06617 187.6
[M+K]+ 390.99551 171.9
[M+H-H2O]+ 335.02961 171.1
[M+HCOO]- 397.03055 189.2
[M+CH3COO]- 411.04620 185.9
[M+Na-2H]- 373.00702 180.1
[M]+ 352.03180 190.0
[M]- 352.03290 190.0
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.