CID 3055152

Brn 0723436

Structural Information

Molecular Formula
C24H20N4O2S
SMILES
CC1=CC=C(C=C1)NC(=S)NC(=O)CN2C(=NC3=CC=CC=C3C2=O)C4=CC=CC=C4
InChI
InChI=1S/C24H20N4O2S/c1-16-11-13-18(14-12-16)25-24(31)27-21(29)15-28-22(17-7-3-2-4-8-17)26-20-10-6-5-9-19(20)23(28)30/h2-14H,15H2,1H3,(H2,25,27,29,31)
InChIKey
LNQRXKXXZSLJLL-UHFFFAOYSA-N
Compound name
N-[(4-methylphenyl)carbamothioyl]-2-(4-oxo-2-phenylquinazolin-3-yl)acetamide
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 199.4
[M+Na]+ 451.11992 214.6
[M+NH4]+ 446.16452 206.2
[M+K]+ 467.09386 204.1
[M-H]- 427.12342 206.3
[M+Na-2H]- 449.10537 209.5
[M]+ 428.13015 204.0
[M]- 428.13125 204.0
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.