CID 3059837

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

Structural Information

Molecular Formula
C20H21IN4OS
SMILES
CCN(CCN1C(=NC2=C(C1=O)C=C(C=C2)I)C)C(=S)NC3=CC=CC=C3
InChI
InChI=1S/C20H21IN4OS/c1-3-24(20(27)23-16-7-5-4-6-8-16)11-12-25-14(2)22-18-10-9-15(21)13-17(18)19(25)26/h4-10,13H,3,11-12H2,1-2H3,(H,23,27)
InChIKey
QKZHEWOJGZGECP-UHFFFAOYSA-N
Compound name
1-ethyl-1-[2-(6-iodo-2-methyl-4-oxoquinazolin-3-yl)ethyl]-3-phenylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

492.04807 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 493.05535 205.0
[M+Na]+ 515.03729 210.6
[M+NH4]+ 510.08189 207.7
[M+K]+ 531.01123 203.7
[M-H]- 491.04079 203.7
[M+Na-2H]- 513.02274 199.3
[M]+ 492.04752 204.8
[M]- 492.04862 204.8
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.