CID 3055153

Brn 0724244

Structural Information

Molecular Formula
C24H20N4O2S
SMILES
C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2CCC(=O)NC(=S)NC4=CC=CC=C4
InChI
InChI=1S/C24H20N4O2S/c29-21(27-24(31)25-18-11-5-2-6-12-18)15-16-28-22(17-9-3-1-4-10-17)26-20-14-8-7-13-19(20)23(28)30/h1-14H,15-16H2,(H2,25,27,29,31)
InChIKey
JJTILGRJVMVCJJ-UHFFFAOYSA-N
Compound name
3-(4-oxo-2-phenylquinazolin-3-yl)-N-(phenylcarbamothioyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

428.1307 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.13798 200.2
[M+Na]+ 451.11992 206.4
[M-H]- 427.12342 207.5
[M+NH4]+ 446.16452 207.4
[M+K]+ 467.09386 198.3
[M+H-H2O]+ 411.12796 189.1
[M+HCOO]- 473.12890 215.4
[M+CH3COO]- 487.14455 207.9
[M+Na-2H]- 449.10537 204.2
[M]+ 428.13015 201.0
[M]- 428.13125 201.0
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.