CID 13480548

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

Structural Information

Molecular Formula
C23H15ClN4
SMILES
C1=CC=C(C=C1)/C=C/C2=NN=C3N2C4=C(C=C(C=C4)Cl)C(=N3)C5=CC=CC=C5
InChI
InChI=1S/C23H15ClN4/c24-18-12-13-20-19(15-18)22(17-9-5-2-6-10-17)25-23-27-26-21(28(20)23)14-11-16-7-3-1-4-8-16/h1-15H/b14-11+
InChIKey
ILIQIMASPDNIBK-SDNWHVSQSA-N
Compound name
7-chloro-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

382.0985 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.10578 193.5
[M+Na]+ 405.08772 205.5
[M-H]- 381.09122 199.7
[M+NH4]+ 400.13232 203.8
[M+K]+ 421.06166 194.5
[M+H-H2O]+ 365.09576 180.5
[M+HCOO]- 427.09670 207.1
[M+CH3COO]- 441.11235 202.9
[M+Na-2H]- 403.07317 198.5
[M]+ 382.09795 197.0
[M]- 382.09905 197.0
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.