CID 13480546

(1,2,4)triazolo(4,3-a)quinazoline, 5-phenyl-1-(2-phenylethenyl)-

Structural Information

Molecular Formula
C23H16N4
SMILES
C1=CC=C(C=C1)/C=C/C2=NN=C3N2C4=CC=CC=C4C(=N3)C5=CC=CC=C5
InChI
InChI=1S/C23H16N4/c1-3-9-17(10-4-1)15-16-21-25-26-23-24-22(18-11-5-2-6-12-18)19-13-7-8-14-20(19)27(21)23/h1-16H/b16-15+
InChIKey
UFHLQAOMUXALJQ-FOCLMDBBSA-N
Compound name
5-phenyl-1-[(E)-2-phenylethenyl]-[1,2,4]triazolo[4,3-a]quinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.13748 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.14476 185.8
[M+Na]+ 371.12670 196.3
[M-H]- 347.13020 192.2
[M+NH4]+ 366.17130 196.4
[M+K]+ 387.10064 186.4
[M+H-H2O]+ 331.13474 172.9
[M+HCOO]- 393.13568 204.2
[M+CH3COO]- 407.15133 195.5
[M+Na-2H]- 369.11215 192.4
[M]+ 348.13693 186.7
[M]- 348.13803 186.7
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.