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 191.6
[M+Na]+ 424.08569 200.6
[M-H]- 400.08919 197.9
[M+NH4]+ 419.13029 202.9
[M+K]+ 440.05963 194.0
[M+H-H2O]+ 384.09373 182.4
[M+HCOO]- 446.09467 202.6
[M+CH3COO]- 460.11032 225.5
[M+Na-2H]- 422.07114 193.0
[M]+ 401.09592 199.7
[M]- 401.09702 199.7
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.