CID 3088588

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

Structural Information

Molecular Formula
C29H23ClN4O2S
SMILES
CC1=CC=C(C=C1)OCC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)NC(=S)NC5=CC=C(C=C5)Cl
InChI
InChI=1S/C29H23ClN4O2S/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
UHHHVADHUJMSIK-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-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

526.12305 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 527.13033 225.9
[M+Na]+ 549.11227 244.7
[M+NH4]+ 544.15687 233.5
[M+K]+ 565.08621 231.1
[M-H]- 525.11577 236.0
[M+Na-2H]- 547.09772 238.3
[M]+ 526.12250 232.5
[M]- 526.12360 232.5
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.