CID 3055149

72045-60-4

Structural Information

Molecular Formula
C23H18N4O2S
SMILES
C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2CC(=O)NC(=S)NC4=CC=CC=C4
InChI
InChI=1S/C23H18N4O2S/c28-20(26-23(30)24-17-11-5-2-6-12-17)15-27-21(16-9-3-1-4-10-16)25-19-14-8-7-13-18(19)22(27)29/h1-14H,15H2,(H2,24,26,28,30)
InChIKey
DSEYSRCKVZIOMY-UHFFFAOYSA-N
Compound name
2-(4-oxo-2-phenylquinazolin-3-yl)-N-(phenylcarbamothioyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

414.11505 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.12233 196.1
[M+Na]+ 437.10427 202.8
[M-H]- 413.10777 203.7
[M+NH4]+ 432.14887 203.9
[M+K]+ 453.07821 194.9
[M+H-H2O]+ 397.11231 185.2
[M+HCOO]- 459.11325 211.7
[M+CH3COO]- 473.12890 204.3
[M+Na-2H]- 435.08972 200.6
[M]+ 414.11450 196.6
[M]- 414.11560 196.6
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.