CID 3064664

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

Structural Information

Molecular Formula
C23H19IN4O2S
SMILES
CC1=NC2=C(C=C(C=C2)I)C(=O)N1C3=C(C=C(C=C3)NC(=S)NC4=CC=CC=C4)OC
InChI
InChI=1S/C23H19IN4O2S/c1-14-25-19-10-8-15(24)12-18(19)22(29)28(14)20-11-9-17(13-21(20)30-2)27-23(31)26-16-6-4-3-5-7-16/h3-13H,1-2H3,(H2,26,27,31)
InChIKey
ZHASHCZOVFWKQY-UHFFFAOYSA-N
Compound name
1-[4-(6-iodo-2-methyl-4-oxoquinazolin-3-yl)-3-methoxyphenyl]-3-phenylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

542.02734 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 543.03462 220.2
[M+Na]+ 565.01656 227.9
[M+NH4]+ 560.06116 222.7
[M+K]+ 580.99050 220.1
[M-H]- 541.02006 221.0
[M+Na-2H]- 563.00201 216.3
[M]+ 542.02679 221.0
[M]- 542.02789 221.0
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.