CID 1887724

477318-86-8

Structural Information

Molecular Formula
C23H18ClFN2O2S
SMILES
CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=C(C=CC=C4Cl)F
InChI
InChI=1S/C23H18ClFN2O2S/c1-2-29-16-12-10-15(11-13-16)27-22(28)17-6-3-4-9-21(17)26-23(27)30-14-18-19(24)7-5-8-20(18)25/h3-13H,2,14H2,1H3
InChIKey
RJVSBCFEVMJFQS-UHFFFAOYSA-N
Compound name
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-(4-ethoxyphenyl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

440.07614 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.08342 201.6
[M+Na]+ 463.06536 213.1
[M-H]- 439.06886 208.5
[M+NH4]+ 458.10996 210.8
[M+K]+ 479.03930 203.9
[M+H-H2O]+ 423.07340 190.1
[M+HCOO]- 485.07434 211.0
[M+CH3COO]- 499.08999 210.8
[M+Na-2H]- 461.05081 202.5
[M]+ 440.07559 208.5
[M]- 440.07669 208.5
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.