CID 1544124

476484-67-0

Structural Information

Molecular Formula
C20H20ClN3O2S
SMILES
CCN(CC)C(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)Cl
InChI
InChI=1S/C20H20ClN3O2S/c1-3-23(4-2)18(25)13-27-20-22-17-8-6-5-7-16(17)19(26)24(20)15-11-9-14(21)10-12-15/h5-12H,3-4,13H2,1-2H3
InChIKey
XYCQIHPCPUUJAU-UHFFFAOYSA-N
Compound name
2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N,N-diethylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.09647 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.10375 192.1
[M+Na]+ 424.08569 207.8
[M+NH4]+ 419.13029 199.8
[M+K]+ 440.05963 197.0
[M-H]- 400.08919 196.8
[M+Na-2H]- 422.07114 199.9
[M]+ 401.09592 196.6
[M]- 401.09702 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.