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 204.9
[M+Na]+ 454.09844 217.3
[M-H]- 430.10194 216.5
[M+NH4]+ 449.14304 214.3
[M+K]+ 470.07238 207.1
[M+H-H2O]+ 414.10648 193.2
[M+HCOO]- 476.10742 220.3
[M+CH3COO]- 490.12307 214.5
[M+Na-2H]- 452.08389 208.1
[M]+ 431.10867 208.7
[M]- 431.10977 208.7
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.