CID 1887954

476484-69-2

Structural Information

Molecular Formula
C21H13Cl2FN2OS
SMILES
C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=C(C=CC=C3Cl)F)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C21H13Cl2FN2OS/c22-13-8-10-14(11-9-13)26-20(27)15-4-1-2-7-19(15)25-21(26)28-12-16-17(23)5-3-6-18(16)24/h1-11H,12H2
InChIKey
XGJNRIQEFNJMEB-UHFFFAOYSA-N
Compound name
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-(4-chlorophenyl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

430.01096 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.01824 196.5
[M+Na]+ 453.00018 216.5
[M+NH4]+ 448.04478 205.5
[M+K]+ 468.97412 202.7
[M-H]- 429.00368 202.7
[M+Na-2H]- 450.98563 207.0
[M]+ 430.01041 202.6
[M]- 430.01151 202.6
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.