CID 63963

4(3h)-quinazolinone, 6,8-dibromo-3-(2-chlorophenyl)-2-((propylthio)methyl)-

Structural Information

Molecular Formula
C18H15Br2ClN2OS
SMILES
CCCSCC1=NC2=C(C=C(C=C2Br)Br)C(=O)N1C3=CC=CC=C3Cl
InChI
InChI=1S/C18H15Br2ClN2OS/c1-2-7-25-10-16-22-17-12(8-11(19)9-13(17)20)18(24)23(16)15-6-4-3-5-14(15)21/h3-6,8-9H,2,7,10H2,1H3
InChIKey
UCOYEWWCORSIOJ-UHFFFAOYSA-N
Compound name
6,8-dibromo-3-(2-chlorophenyl)-2-(propylsulfanylmethyl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

499.89603 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 500.90331 164.4
[M+Na]+ 522.88525 178.1
[M-H]- 498.88875 172.9
[M+NH4]+ 517.92985 178.3
[M+K]+ 538.85919 160.2
[M+H-H2O]+ 482.89329 172.7
[M+HCOO]- 544.89423 170.9
[M+CH3COO]- 558.90988 177.3
[M+Na-2H]- 520.87070 169.6
[M]+ 499.89548 204.4
[M]- 499.89658 204.4
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.