CID 3088587

Thiourea, n-(4-bromophenyl)-n'-(4-(2-((4-methylphenoxy)methyl)-4-oxo-3(4h)-quinazolinyl)phenyl)-

Structural Information

Molecular Formula
C29H23BrN4O2S
SMILES
CC1=CC=C(C=C1)OCC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)NC(=S)NC5=CC=C(C=C5)Br
InChI
InChI=1S/C29H23BrN4O2S/c1-19-6-16-24(17-7-19)36-18-27-33-26-5-3-2-4-25(26)28(35)34(27)23-14-12-22(13-15-23)32-29(37)31-21-10-8-20(30)9-11-21/h2-17H,18H2,1H3,(H2,31,32,37)
InChIKey
LTUDVZQMTLQHIT-UHFFFAOYSA-N
Compound name
1-(4-bromophenyl)-3-[4-[2-[(4-methylphenoxy)methyl]-4-oxoquinazolin-3-yl]phenyl]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

570.0725 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 571.07978 212.8
[M+Na]+ 593.06172 220.5
[M+NH4]+ 588.10632 216.6
[M+K]+ 609.03566 215.2
[M-H]- 569.06522 220.1
[M+Na-2H]- 591.04717 221.4
[M]+ 570.07195 215.5
[M]- 570.07305 215.5
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.