CID 3059836

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

Structural Information

Molecular Formula
C21H23BrN4OS
SMILES
CC1=NC2=C(C=C(C=C2)Br)C(=O)N1CCN(C(C)C)C(=S)NC3=CC=CC=C3
InChI
InChI=1S/C21H23BrN4OS/c1-14(2)25(21(28)24-17-7-5-4-6-8-17)11-12-26-15(3)23-19-10-9-16(22)13-18(19)20(26)27/h4-10,13-14H,11-12H2,1-3H3,(H,24,28)
InChIKey
IEGILTFULFWRHW-UHFFFAOYSA-N
Compound name
1-[2-(6-bromo-2-methyl-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

458.0776 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.08488 183.0
[M+Na]+ 481.06682 186.8
[M+NH4]+ 476.11142 186.7
[M+K]+ 497.04076 184.6
[M-H]- 457.07032 186.1
[M+Na-2H]- 479.05227 187.7
[M]+ 458.07705 183.7
[M]- 458.07815 183.7
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.