CID 24847255

(1,2,4)triazolo(4,3-a)quinazoline, 7-chloro-1-(2-(methoxyphenyl)ethenyl)-5-phenyl-

Structural Information

Molecular Formula
C24H17ClN4O
SMILES
COC1=CC=CC=C1/C=C/C2=NN=C3N2C4=C(C=C(C=C4)Cl)C(=N3)C5=CC=CC=C5
InChI
InChI=1S/C24H17ClN4O/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/h2-15H,1H3/b14-11+
InChIKey
OCCDIWNARQIEKT-SDNWHVSQSA-N
Compound name
7-chloro-1-[(E)-2-(2-methoxyphenyl)ethenyl]-5-phenyl-[1,2,4]triazolo[4,3-a]quinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.1091 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.11638 201.8
[M+Na]+ 435.09832 213.9
[M-H]- 411.10182 208.3
[M+NH4]+ 430.14292 211.0
[M+K]+ 451.07226 203.6
[M+H-H2O]+ 395.10636 188.6
[M+HCOO]- 457.10730 215.1
[M+CH3COO]- 471.12295 210.9
[M+Na-2H]- 433.08377 205.6
[M]+ 412.10855 207.3
[M]- 412.10965 207.3
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.