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 190.8
[M+Na]+ 403.15630 197.4
[M-H]- 379.15980 196.5
[M+NH4]+ 398.20090 201.6
[M+K]+ 419.13024 191.0
[M+H-H2O]+ 363.16434 180.5
[M+HCOO]- 425.16528 206.9
[M+CH3COO]- 439.18093 226.1
[M+Na-2H]- 401.14175 193.5
[M]+ 380.16653 194.5
[M]- 380.16763 194.5
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.