CID 1187843

477329-52-5

Structural Information

Molecular Formula
C24H18ClN3O4S
SMILES
C1COC2=C(O1)C=CC(=C2)NC(=O)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)Cl
InChI
InChI=1S/C24H18ClN3O4S/c25-15-5-8-17(9-6-15)28-23(30)18-3-1-2-4-19(18)27-24(28)33-14-22(29)26-16-7-10-20-21(13-16)32-12-11-31-20/h1-10,13H,11-12,14H2,(H,26,29)
InChIKey
YGMOPPWLUUCHJU-UHFFFAOYSA-N
Compound name
2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

479.07065 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 480.07793 209.6
[M+Na]+ 502.05987 227.4
[M+NH4]+ 497.10447 217.2
[M+K]+ 518.03381 216.4
[M-H]- 478.06337 219.2
[M+Na-2H]- 500.04532 217.5
[M]+ 479.07010 215.9
[M]- 479.07120 215.9
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.