CID 3059841

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

Structural Information

Molecular Formula
C21H24N4OS
SMILES
CCC1=NC2=CC=CC=C2C(=O)N1CCN(CC)C(=S)NC3=CC=CC=C3
InChI
InChI=1S/C21H24N4OS/c1-3-19-23-18-13-9-8-12-17(18)20(26)25(19)15-14-24(4-2)21(27)22-16-10-6-5-7-11-16/h5-13H,3-4,14-15H2,1-2H3,(H,22,27)
InChIKey
UAVACZXGPQEZMU-UHFFFAOYSA-N
Compound name
1-ethyl-1-[2-(2-ethyl-4-oxoquinazolin-3-yl)ethyl]-3-phenylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.16708 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.17436 189.6
[M+Na]+ 403.15630 203.1
[M+NH4]+ 398.20090 197.0
[M+K]+ 419.13024 192.8
[M-H]- 379.15980 194.9
[M+Na-2H]- 401.14175 197.7
[M]+ 380.16653 193.5
[M]- 380.16763 193.5
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.