CID 1544768

105491-11-0

Structural Information

Molecular Formula
C24H20N4O2S
SMILES
CC(=NNC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C24H20N4O2S/c1-17(18-10-4-2-5-11-18)26-27-22(29)16-31-24-25-21-15-9-8-14-20(21)23(30)28(24)19-12-6-3-7-13-19/h2-15H,16H2,1H3,(H,27,29)
InChIKey
IBWOMSHCKGHORK-UHFFFAOYSA-N
Compound name
2-(4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-(1-phenylethylideneamino)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 201.0
[M+Na]+ 451.11992 207.5
[M-H]- 427.12342 209.6
[M+NH4]+ 446.16452 208.7
[M+K]+ 467.09386 200.1
[M+H-H2O]+ 411.12796 189.3
[M+HCOO]- 473.12890 217.6
[M+CH3COO]- 487.14455 209.2
[M+Na-2H]- 449.10537 205.1
[M]+ 428.13015 203.5
[M]- 428.13125 203.5
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.