CID 64095

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

Structural Information

Molecular Formula
C19H18Br2N2O2S
SMILES
CCCSCC1=NC2=C(C=C(C=C2Br)Br)C(=O)N1C3=CC=CC=C3OC
InChI
InChI=1S/C19H18Br2N2O2S/c1-3-8-26-11-17-22-18-13(9-12(20)10-14(18)21)19(24)23(17)15-6-4-5-7-16(15)25-2/h4-7,9-10H,3,8,11H2,1-2H3
InChIKey
QHJUFAYERDHKAY-UHFFFAOYSA-N
Compound name
6,8-dibromo-3-(2-methoxyphenyl)-2-(propylsulfanylmethyl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

495.94556 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 496.95284 166.2
[M+Na]+ 518.93478 178.2
[M-H]- 494.93828 174.4
[M+NH4]+ 513.97938 179.2
[M+K]+ 534.90872 161.9
[M+H-H2O]+ 478.94282 173.5
[M+HCOO]- 540.94376 176.1
[M+CH3COO]- 554.95941 178.7
[M+Na-2H]- 516.92023 171.2
[M]+ 495.94501 205.9
[M]- 495.94611 205.9
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.