CID 1158652

430470-66-9

Structural Information

Molecular Formula
C22H15ClFN3O2S
SMILES
C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)NC3=CC=CC=C3F)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C22H15ClFN3O2S/c23-14-9-11-15(12-10-14)27-21(29)16-5-1-3-7-18(16)26-22(27)30-13-20(28)25-19-8-4-2-6-17(19)24/h1-12H,13H2,(H,25,28)
InChIKey
FTZLWYRCGGGGNP-UHFFFAOYSA-N
Compound name
2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-fluorophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

439.05576 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.06304 198.8
[M+Na]+ 462.04498 209.0
[M-H]- 438.04848 205.6
[M+NH4]+ 457.08958 207.4
[M+K]+ 478.01892 199.9
[M+H-H2O]+ 422.05302 187.7
[M+HCOO]- 484.05396 208.8
[M+CH3COO]- 498.06961 207.6
[M+Na-2H]- 460.03043 201.1
[M]+ 439.05521 203.3
[M]- 439.05631 203.3
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.