CID 3064665

N-(3-methoxy-4-(2-methyl-4-oxo-3(4h)-quinazolinyl)phenyl)-n'-(4-methoxyphenyl)thiourea

Structural Information

Molecular Formula
C24H22N4O3S
SMILES
CC1=NC2=CC=CC=C2C(=O)N1C3=C(C=C(C=C3)NC(=S)NC4=CC=C(C=C4)OC)OC
InChI
InChI=1S/C24H22N4O3S/c1-15-25-20-7-5-4-6-19(20)23(29)28(15)21-13-10-17(14-22(21)31-3)27-24(32)26-16-8-11-18(30-2)12-9-16/h4-14H,1-3H3,(H2,26,27,32)
InChIKey
LPBLANQJXOTSMX-UHFFFAOYSA-N
Compound name
1-[3-methoxy-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-3-(4-methoxyphenyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

446.14127 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.14855 206.0
[M+Na]+ 469.13049 221.7
[M+NH4]+ 464.17509 212.6
[M+K]+ 485.10443 211.3
[M-H]- 445.13399 213.0
[M+Na-2H]- 467.11594 215.4
[M]+ 446.14072 210.8
[M]- 446.14182 210.8
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.