CID 63182

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

Structural Information

Molecular Formula
C19H17Br2ClN2OS
SMILES
CCC(C)SCC1=NC2=C(C=C(C=C2Br)Br)C(=O)N1C3=CC=CC=C3Cl
InChI
InChI=1S/C19H17Br2ClN2OS/c1-3-11(2)26-10-17-23-18-13(8-12(20)9-14(18)21)19(25)24(17)16-7-5-4-6-15(16)22/h4-9,11H,3,10H2,1-2H3
InChIKey
ZZPILCJSFZDJGN-UHFFFAOYSA-N
Compound name
6,8-dibromo-2-(butan-2-ylsulfanylmethyl)-3-(2-chlorophenyl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

513.9117 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 514.91898 170.6
[M+Na]+ 536.90092 168.5
[M+NH4]+ 531.94552 172.8
[M+K]+ 552.87486 172.2
[M-H]- 512.90442 172.8
[M+Na-2H]- 534.88637 173.2
[M]+ 513.91115 170.5
[M]- 513.91225 170.5
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.