CID 1886292

2-{[3-(4-chlorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}-n-(2,6-dichlorophenyl)acetamide

Structural Information

Molecular Formula
C22H14Cl3N3O2S
SMILES
C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)NC3=C(C=CC=C3Cl)Cl)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C22H14Cl3N3O2S/c23-13-8-10-14(11-9-13)28-21(30)15-4-1-2-7-18(15)26-22(28)31-12-19(29)27-20-16(24)5-3-6-17(20)25/h1-11H,12H2,(H,27,29)
InChIKey
SFQBZUSKTUDTRI-UHFFFAOYSA-N
Compound name
2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2,6-dichlorophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

488.98724 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 489.99452 203.4
[M+Na]+ 511.97646 214.3
[M-H]- 487.97996 210.0
[M+NH4]+ 507.02106 211.2
[M+K]+ 527.95040 205.6
[M+H-H2O]+ 471.98450 194.7
[M+HCOO]- 533.98544 204.4
[M+CH3COO]- 548.00109 211.4
[M+Na-2H]- 509.96191 204.2
[M]+ 488.98669 211.1
[M]- 488.98779 211.1
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.