CID 63268

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

Structural Information

Molecular Formula
C27H17N3OS
SMILES
C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4C5=NC6=CC=CC=C6S5
InChI
InChI=1S/C27H17N3OS/c31-27-19-12-4-6-14-21(19)28-25(18-10-2-1-3-11-18)30(27)23-16-8-5-13-20(23)26-29-22-15-7-9-17-24(22)32-26/h1-17H
InChIKey
VVWIUTCTCIPATM-UHFFFAOYSA-N
Compound name
3-[2-(1,3-benzothiazol-2-yl)phenyl]-2-phenylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

431.10922 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.11650 201.0
[M+Na]+ 454.09844 223.0
[M+NH4]+ 449.14304 210.9
[M+K]+ 470.07238 210.5
[M-H]- 430.10194 211.1
[M+Na-2H]- 452.08389 215.0
[M]+ 431.10867 208.1
[M]- 431.10977 208.1
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.