CID 13480540

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

Structural Information

Molecular Formula
C23H17ClN4
SMILES
C1=CC=C(C=C1)CCC2=NN=C3N2C4=C(C=C(C=C4)Cl)C(=N3)C5=CC=CC=C5
InChI
InChI=1S/C23H17ClN4/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/h1-10,12-13,15H,11,14H2
InChIKey
BDZHJTGUBXQGPO-UHFFFAOYSA-N
Compound name
7-chloro-5-phenyl-1-(2-phenylethyl)-[1,2,4]triazolo[4,3-a]quinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.11417 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.12145 193.5
[M+Na]+ 407.10339 205.2
[M-H]- 383.10689 199.7
[M+NH4]+ 402.14799 203.7
[M+K]+ 423.07733 194.7
[M+H-H2O]+ 367.11143 180.4
[M+HCOO]- 429.11237 206.9
[M+CH3COO]- 443.12802 202.9
[M+Na-2H]- 405.08884 198.6
[M]+ 384.11362 197.8
[M]- 384.11472 197.8
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.