CID 63927

85178-73-0

Structural Information

Molecular Formula
C19H14BrN3O3S
SMILES
COC1=CC=C(C=C1)COC2=NC3=C(C=C(C=C3)Br)C(=O)N2C4=NC=CS4
InChI
InChI=1S/C19H14BrN3O3S/c1-25-14-5-2-12(3-6-14)11-26-18-22-16-7-4-13(20)10-15(16)17(24)23(18)19-21-8-9-27-19/h2-10H,11H2,1H3
InChIKey
HYTFCURIVJONEW-UHFFFAOYSA-N
Compound name
6-bromo-2-[(4-methoxyphenyl)methoxy]-3-(1,3-thiazol-2-yl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

442.99393 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.00121 184.8
[M+Na]+ 465.98315 192.5
[M+NH4]+ 461.02775 188.9
[M+K]+ 481.95709 190.3
[M-H]- 441.98665 188.3
[M+Na-2H]- 463.96860 191.1
[M]+ 442.99338 186.4
[M]- 442.99448 186.4
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.