CID 3059847

Thiourea, n-(2-(6,8-dibromo-2-ethyl-4-oxo-3(4h)-quinazolinyl)ethyl)-n-ethyl-n'-phenyl-

Structural Information

Molecular Formula
C21H22Br2N4OS
SMILES
CCC1=NC2=C(C=C(C=C2Br)Br)C(=O)N1CCN(CC)C(=S)NC3=CC=CC=C3
InChI
InChI=1S/C21H22Br2N4OS/c1-3-18-25-19-16(12-14(22)13-17(19)23)20(28)27(18)11-10-26(4-2)21(29)24-15-8-6-5-7-9-15/h5-9,12-13H,3-4,10-11H2,1-2H3,(H,24,29)
InChIKey
QIGXICIPSTVUEI-UHFFFAOYSA-N
Compound name
1-[2-(6,8-dibromo-2-ethyl-4-oxoquinazolin-3-yl)ethyl]-1-ethyl-3-phenylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

535.9881 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 536.99538 174.6
[M+Na]+ 558.97732 170.1
[M+NH4]+ 554.02192 175.7
[M+K]+ 574.95126 174.9
[M-H]- 534.98082 176.9
[M+Na-2H]- 556.96277 176.9
[M]+ 535.98755 173.8
[M]- 535.98865 173.8
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.