CID 1890485

763113-61-7

Structural Information

Molecular Formula
C23H19FN2O2S
SMILES
CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC=CC=C4F
InChI
InChI=1S/C23H19FN2O2S/c1-2-28-18-13-11-17(12-14-18)26-22(27)19-8-4-6-10-21(19)25-23(26)29-15-16-7-3-5-9-20(16)24/h3-14H,2,15H2,1H3
InChIKey
JZFFPPUHVRKUBT-UHFFFAOYSA-N
Compound name
3-(4-ethoxyphenyl)-2-[(2-fluorophenyl)methylsulfanyl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.1151 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.12238 196.5
[M+Na]+ 429.10432 206.6
[M-H]- 405.10782 203.3
[M+NH4]+ 424.14892 205.9
[M+K]+ 445.07826 198.3
[M+H-H2O]+ 389.11236 184.4
[M+HCOO]- 451.11330 210.5
[M+CH3COO]- 465.12895 205.7
[M+Na-2H]- 427.08977 198.5
[M]+ 406.11455 200.6
[M]- 406.11565 200.6
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.