CID 3059848

Thiourea, n-(2-(6,8-dibromo-2-ethyl-4-oxo-3(4h)-quinazolinyl)ethyl)-n-(1-methylethyl)-n'-phenyl-

Structural Information

Molecular Formula
C22H24Br2N4OS
SMILES
CCC1=NC2=C(C=C(C=C2Br)Br)C(=O)N1CCN(C(C)C)C(=S)NC3=CC=CC=C3
InChI
InChI=1S/C22H24Br2N4OS/c1-4-19-26-20-17(12-15(23)13-18(20)24)21(29)28(19)11-10-27(14(2)3)22(30)25-16-8-6-5-7-9-16/h5-9,12-14H,4,10-11H2,1-3H3,(H,25,30)
InChIKey
WULRCYSWFXQFON-UHFFFAOYSA-N
Compound name
1-[2-(6,8-dibromo-2-ethyl-4-oxoquinazolin-3-yl)ethyl]-3-phenyl-1-propan-2-ylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

550.0038 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 551.01108 175.6
[M+Na]+ 572.99302 170.8
[M+NH4]+ 568.03762 176.6
[M+K]+ 588.96696 176.0
[M-H]- 548.99652 177.8
[M+Na-2H]- 570.97847 177.7
[M]+ 550.00325 174.7
[M]- 550.00435 174.7
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.