CID 63661

6,8-dibromo-3-(2-methoxyphenyl)-2-(((1-methylpropyl)thio)methyl)-4(3h)-quinazolinone

Structural Information

Molecular Formula
C20H20Br2N2O2S
SMILES
CCC(C)SCC1=NC2=C(C=C(C=C2Br)Br)C(=O)N1C3=CC=CC=C3OC
InChI
InChI=1S/C20H20Br2N2O2S/c1-4-12(2)27-11-18-23-19-14(9-13(21)10-15(19)22)20(25)24(18)16-7-5-6-8-17(16)26-3/h5-10,12H,4,11H2,1-3H3
InChIKey
ZKLJMVXLQGTNBU-UHFFFAOYSA-N
Compound name
6,8-dibromo-2-(butan-2-ylsulfanylmethyl)-3-(2-methoxyphenyl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

509.9612 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 510.96848 170.0
[M+Na]+ 532.95042 166.9
[M+NH4]+ 527.99502 171.6
[M+K]+ 548.92436 171.5
[M-H]- 508.95392 171.9
[M+Na-2H]- 530.93587 172.3
[M]+ 509.96065 169.4
[M]- 509.96175 169.4
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.