CID 63155

4(3h)-quinazolinone, 3-(2-benzothiazolylmethyl)-2-phenyl-

Structural Information

Molecular Formula
C22H15N3OS
SMILES
C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2CC4=NC5=CC=CC=C5S4
InChI
InChI=1S/C22H15N3OS/c26-22-16-10-4-5-11-17(16)24-21(15-8-2-1-3-9-15)25(22)14-20-23-18-12-6-7-13-19(18)27-20/h1-13H,14H2
InChIKey
APRHYGNGJHYGEB-UHFFFAOYSA-N
Compound name
3-(1,3-benzothiazol-2-ylmethyl)-2-phenylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.0936 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.10088 186.9
[M+Na]+ 392.08282 199.7
[M-H]- 368.08632 195.7
[M+NH4]+ 387.12742 199.5
[M+K]+ 408.05676 190.8
[M+H-H2O]+ 352.09086 176.8
[M+HCOO]- 414.09180 203.2
[M+CH3COO]- 428.10745 197.9
[M+Na-2H]- 390.06827 191.3
[M]+ 369.09305 191.8
[M]- 369.09415 191.8
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.