CID 3059845

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

Structural Information

Molecular Formula
C21H23IN4OS
SMILES
CCC1=NC2=C(C=C(C=C2)I)C(=O)N1CCN(CC)C(=S)NC3=CC=CC=C3
InChI
InChI=1S/C21H23IN4OS/c1-3-19-24-18-11-10-15(22)14-17(18)20(27)26(19)13-12-25(4-2)21(28)23-16-8-6-5-7-9-16/h5-11,14H,3-4,12-13H2,1-2H3,(H,23,28)
InChIKey
LXZLJACWIWPPFL-UHFFFAOYSA-N
Compound name
1-ethyl-1-[2-(2-ethyl-6-iodo-4-oxoquinazolin-3-yl)ethyl]-3-phenylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

506.06372 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 507.07100 209.3
[M+Na]+ 529.05294 214.7
[M+NH4]+ 524.09754 211.8
[M+K]+ 545.02688 207.6
[M-H]- 505.05644 207.9
[M+Na-2H]- 527.03839 203.3
[M]+ 506.06317 209.0
[M]- 506.06427 209.0
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.