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]+ 351.160416 186.0
[M+Na]+ 373.142358 196.1
[M-H]- 349.145864 192.3
[M+NH4]+ 368.186963 196.5
[M+K]+ 389.116298 186.7
[M+H-H2O]+ 333.150400 173.0
[M+HCOO]- 395.151341 204.2
[M+CH3COO]- 409.166991 195.6
[M+Na-2H]- 371.127806 192.6
[M]+ 350.15259142 187.6
[M]- 350.15368858 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.