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 182.2
[M+Na]+ 572.99302 190.4
[M-H]- 548.99652 190.2
[M+NH4]+ 568.03762 192.5
[M+K]+ 588.96696 173.4
[M+H-H2O]+ 533.00106 187.2
[M+HCOO]- 595.00200 191.0
[M+CH3COO]- 609.01765 245.5
[M+Na-2H]- 570.97847 185.0
[M]+ 550.00325 219.0
[M]- 550.00435 219.0
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.