CID 24847256

95858-91-6

Structural Information

Molecular Formula
C24H19ClN4O
SMILES
COC1=CC=CC=C1CCC2=NN=C3N2C4=C(C=C(C=C4)Cl)C(=N3)C5=CC=CC=C5
InChI
InChI=1S/C24H19ClN4O/c1-30-21-10-6-5-7-16(21)11-14-22-27-28-24-26-23(17-8-3-2-4-9-17)19-15-18(25)12-13-20(19)29(22)24/h2-10,12-13,15H,11,14H2,1H3
InChIKey
PWRKVDIYPOKVSW-UHFFFAOYSA-N
Compound name
7-chloro-1-[2-(2-methoxyphenyl)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

414.12473 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.13201 201.9
[M+Na]+ 437.11395 213.6
[M-H]- 413.11745 208.3
[M+NH4]+ 432.15855 211.0
[M+K]+ 453.08789 203.8
[M+H-H2O]+ 397.12199 188.6
[M+HCOO]- 459.12293 215.0
[M+CH3COO]- 473.13858 210.9
[M+Na-2H]- 435.09940 205.7
[M]+ 414.12418 208.1
[M]- 414.12528 208.1
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.