CID 3055157

72045-68-2

Structural Information

Molecular Formula
C24H20N4O2S
SMILES
CC(C(=O)NC(=S)NC1=CC=CC=C1)N2C(=NC3=CC=CC=C3C2=O)C4=CC=CC=C4
InChI
InChI=1S/C24H20N4O2S/c1-16(22(29)27-24(31)25-18-12-6-3-7-13-18)28-21(17-10-4-2-5-11-17)26-20-15-9-8-14-19(20)23(28)30/h2-16H,1H3,(H2,25,27,29,31)
InChIKey
MFYPBCVFWJUQIO-UHFFFAOYSA-N
Compound name
2-(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

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.13798 197.6
[M+Na]+ 451.11992 212.0
[M+NH4]+ 446.16452 204.2
[M+K]+ 467.09386 202.2
[M-H]- 427.12342 204.2
[M+Na-2H]- 449.10537 207.7
[M]+ 428.13015 201.9
[M]- 428.13125 201.9
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.