CID 1544140

477318-85-7

Structural Information

Molecular Formula
C24H19ClFN3O3S
SMILES
CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC(=C(C=C4)F)Cl
InChI
InChI=1S/C24H19ClFN3O3S/c1-2-32-17-10-8-16(9-11-17)29-23(31)18-5-3-4-6-21(18)28-24(29)33-14-22(30)27-15-7-12-20(26)19(25)13-15/h3-13H,2,14H2,1H3,(H,27,30)
InChIKey
LIAIIZALIHEHDE-UHFFFAOYSA-N
Compound name
N-(3-chloro-4-fluorophenyl)-2-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

483.08197 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 484.08925 210.8
[M+Na]+ 506.07119 220.5
[M-H]- 482.07469 217.6
[M+NH4]+ 501.11579 217.7
[M+K]+ 522.04513 211.9
[M+H-H2O]+ 466.07923 199.2
[M+HCOO]- 528.08017 220.3
[M+CH3COO]- 542.09582 218.8
[M+Na-2H]- 504.05664 211.7
[M]+ 483.08142 217.7
[M]- 483.08252 217.7
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.