CID 1886902

476484-68-1

Structural Information

Molecular Formula
C22H14Cl2FN3O2S
SMILES
C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)NC3=CC(=C(C=C3)F)Cl)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C22H14Cl2FN3O2S/c23-13-5-8-15(9-6-13)28-21(30)16-3-1-2-4-19(16)27-22(28)31-12-20(29)26-14-7-10-18(25)17(24)11-14/h1-11H,12H2,(H,26,29)
InChIKey
LWYBKLHFPYLKLD-UHFFFAOYSA-N
Compound name
N-(3-chloro-4-fluorophenyl)-2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

473.01678 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 474.02406 202.6
[M+Na]+ 496.00600 213.8
[M-H]- 472.00950 209.0
[M+NH4]+ 491.05060 210.7
[M+K]+ 511.97994 204.4
[M+H-H2O]+ 456.01404 192.3
[M+HCOO]- 518.01498 207.7
[M+CH3COO]- 532.03063 211.0
[M+Na-2H]- 493.99145 203.7
[M]+ 473.01623 209.0
[M]- 473.01733 209.0
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.