CID 24847257

(1,2,4)triazolo(4,3-a)quinazoline, 7-chloro-1-(2-(methylphenyl)ethyl)-5-phenyl-

Structural Information

Molecular Formula
C24H19ClN4
SMILES
CC1=CC=CC=C1CCC2=NN=C3N2C4=C(C=C(C=C4)Cl)C(=N3)C5=CC=CC=C5
InChI
InChI=1S/C24H19ClN4/c1-16-7-5-6-8-17(16)11-14-22-27-28-24-26-23(18-9-3-2-4-10-18)20-15-19(25)12-13-21(20)29(22)24/h2-10,12-13,15H,11,14H2,1H3
InChIKey
DGPOBWFEOSICQH-UHFFFAOYSA-N
Compound name
7-chloro-1-[2-(2-methylphenyl)ethyl]-5-phenyl-[1,2,4]triazolo[4,3-a]quinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.12982 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.13710 198.4
[M+Na]+ 421.11904 219.8
[M+NH4]+ 416.16364 207.6
[M+K]+ 437.09298 209.1
[M-H]- 397.12254 205.6
[M+Na-2H]- 419.10449 209.7
[M]+ 398.12927 204.3
[M]- 398.13037 204.3
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.