CID 3055180

Brn 0731418

Structural Information

Molecular Formula
C30H24N4O2S
SMILES
C1=CC=C(C=C1)CC(C(=O)NC(=S)NC2=CC=CC=C2)N3C(=NC4=CC=CC=C4C3=O)C5=CC=CC=C5
InChI
InChI=1S/C30H24N4O2S/c35-28(33-30(37)31-23-16-8-3-9-17-23)26(20-21-12-4-1-5-13-21)34-27(22-14-6-2-7-15-22)32-25-19-11-10-18-24(25)29(34)36/h1-19,26H,20H2,(H2,31,33,35,37)
InChIKey
DNDJIRHDESDVCV-UHFFFAOYSA-N
Compound name
2-(4-oxo-2-phenylquinazolin-3-yl)-3-phenyl-N-(phenylcarbamothioyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

504.162 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 505.16928 216.5
[M+Na]+ 527.15122 232.4
[M+NH4]+ 522.19582 223.2
[M+K]+ 543.12516 221.0
[M-H]- 503.15472 225.6
[M+Na-2H]- 525.13667 229.1
[M]+ 504.16145 221.9
[M]- 504.16255 221.9
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.