CID 3059835

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

Structural Information

Molecular Formula
C20H21BrN4OS
SMILES
CCN(CCN1C(=NC2=C(C1=O)C=C(C=C2)Br)C)C(=S)NC3=CC=CC=C3
InChI
InChI=1S/C20H21BrN4OS/c1-3-24(20(27)23-16-7-5-4-6-8-16)11-12-25-14(2)22-18-10-9-15(21)13-17(18)19(25)26/h4-10,13H,3,11-12H2,1-2H3,(H,23,27)
InChIKey
IAKYGEMHMHGHMZ-UHFFFAOYSA-N
Compound name
1-[2-(6-bromo-2-methyl-4-oxoquinazolin-3-yl)ethyl]-1-ethyl-3-phenylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

444.06195 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.06923 180.6
[M+Na]+ 467.05117 185.0
[M+NH4]+ 462.09577 184.6
[M+K]+ 483.02511 182.2
[M-H]- 443.05467 184.0
[M+Na-2H]- 465.03662 185.7
[M]+ 444.06140 181.5
[M]- 444.06250 181.5
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.