CID 24847254

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

Structural Information

Molecular Formula
C23H14Cl2N4
SMILES
C1=CC=C(C=C1)C2=NC3=NN=C(N3C4=C2C=C(C=C4)Cl)/C=C/C5=CC=CC=C5Cl
InChI
InChI=1S/C23H14Cl2N4/c24-17-11-12-20-18(14-17)22(16-7-2-1-3-8-16)26-23-28-27-21(29(20)23)13-10-15-6-4-5-9-19(15)25/h1-14H/b13-10+
InChIKey
JOQFEMXAYKTLLG-JLHYYAGUSA-N
Compound name
7-chloro-1-[(E)-2-(2-chlorophenyl)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

416.05954 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.06682 199.7
[M+Na]+ 439.04876 212.7
[M-H]- 415.05226 205.2
[M+NH4]+ 434.09336 209.3
[M+K]+ 455.02270 201.3
[M+H-H2O]+ 399.05680 186.6
[M+HCOO]- 461.05774 208.0
[M+CH3COO]- 475.07339 208.5
[M+Na-2H]- 437.03421 203.0
[M]+ 416.05899 204.8
[M]- 416.06009 204.8
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.