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 200.6
[M+Na]+ 435.09832 221.5
[M+NH4]+ 430.14292 209.0
[M+K]+ 451.07226 211.3
[M-H]- 411.10182 207.2
[M+Na-2H]- 433.08377 211.4
[M]+ 412.10855 206.1
[M]- 412.10965 206.1
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.