CID 3059842

Thiourea, n-(2-(2-ethyl-4-oxo-3(4h)-quinazolinyl)ethyl)-n-(1-methylethyl)-n'-phenyl-

Structural Information

Molecular Formula
C22H26N4OS
SMILES
CCC1=NC2=CC=CC=C2C(=O)N1CCN(C(C)C)C(=S)NC3=CC=CC=C3
InChI
InChI=1S/C22H26N4OS/c1-4-20-24-19-13-9-8-12-18(19)21(27)26(20)15-14-25(16(2)3)22(28)23-17-10-6-5-7-11-17/h5-13,16H,4,14-15H2,1-3H3,(H,23,28)
InChIKey
WYKSZLGCQYGVSA-UHFFFAOYSA-N
Compound name
1-[2-(2-ethyl-4-oxoquinazolin-3-yl)ethyl]-3-phenyl-1-propan-2-ylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.18274 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.19002 195.1
[M+Na]+ 417.17196 200.8
[M-H]- 393.17546 200.7
[M+NH4]+ 412.21656 205.1
[M+K]+ 433.14590 194.8
[M+H-H2O]+ 377.18000 184.7
[M+HCOO]- 439.18094 209.7
[M+CH3COO]- 453.19659 229.9
[M+Na-2H]- 415.15741 196.3
[M]+ 394.18219 198.5
[M]- 394.18329 198.5
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.