CID 13480537

95854-69-6

Structural Information

Molecular Formula
C23H18N4
SMILES
C1=CC=C(C=C1)CCC2=NN=C3N2C4=CC=CC=C4C(=N3)C5=CC=CC=C5
InChI
InChI=1S/C23H18N4/c1-3-9-17(10-4-1)15-16-21-25-26-23-24-22(18-11-5-2-6-12-18)19-13-7-8-14-20(19)27(21)23/h1-14H,15-16H2
InChIKey
PJDJKZUCYXEENU-UHFFFAOYSA-N
Compound name
5-phenyl-1-(2-phenylethyl)-[1,2,4]triazolo[4,3-a]quinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.15314 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.16042 186.0
[M+Na]+ 373.14236 196.1
[M-H]- 349.14586 192.3
[M+NH4]+ 368.18696 196.5
[M+K]+ 389.11630 186.7
[M+H-H2O]+ 333.15040 173.0
[M+HCOO]- 395.15134 204.2
[M+CH3COO]- 409.16699 195.6
[M+Na-2H]- 371.12781 192.6
[M]+ 350.15259 187.6
[M]- 350.15369 187.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.