CID 1886189

476486-15-4

Structural Information

Molecular Formula
C22H16ClFN2OS
SMILES
CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=C(C=CC=C4Cl)F
InChI
InChI=1S/C22H16ClFN2OS/c1-14-9-11-15(12-10-14)26-21(27)16-5-2-3-8-20(16)25-22(26)28-13-17-18(23)6-4-7-19(17)24/h2-12H,13H2,1H3
InChIKey
UTNYVEUQOWVMJC-UHFFFAOYSA-N
Compound name
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-(4-methylphenyl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.06558 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.07286 194.0
[M+Na]+ 433.05480 206.4
[M-H]- 409.05830 201.2
[M+NH4]+ 428.09940 204.7
[M+K]+ 449.02874 196.6
[M+H-H2O]+ 393.06284 183.0
[M+HCOO]- 455.06378 203.7
[M+CH3COO]- 469.07943 203.9
[M+Na-2H]- 431.04025 195.3
[M]+ 410.06503 199.3
[M]- 410.06613 199.3
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.