CID 63297

4(3h)-quinazolinone, 2-((4-methylphenyl)methoxy)-3-(2-thiazolyl)-

Structural Information

Molecular Formula
C19H15N3O2S
SMILES
CC1=CC=C(C=C1)COC2=NC3=CC=CC=C3C(=O)N2C4=NC=CS4
InChI
InChI=1S/C19H15N3O2S/c1-13-6-8-14(9-7-13)12-24-18-21-16-5-3-2-4-15(16)17(23)22(18)19-20-10-11-25-19/h2-11H,12H2,1H3
InChIKey
KZPZZQSFVVFUQR-UHFFFAOYSA-N
Compound name
2-[(4-methylphenyl)methoxy]-3-(1,3-thiazol-2-yl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.0885 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.09578 180.8
[M+Na]+ 372.07772 193.4
[M-H]- 348.08122 189.1
[M+NH4]+ 367.12232 193.5
[M+K]+ 388.05166 186.2
[M+H-H2O]+ 332.08576 171.2
[M+HCOO]- 394.08670 198.6
[M+CH3COO]- 408.10235 192.5
[M+Na-2H]- 370.06317 183.9
[M]+ 349.08795 187.4
[M]- 349.08905 187.4
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.