CID 1887113

740837-79-0

Structural Information

Molecular Formula
C19H17ClN2O3S
SMILES
CC(C)OC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)Cl
InChI
InChI=1S/C19H17ClN2O3S/c1-12(2)25-17(23)11-26-19-21-16-6-4-3-5-15(16)18(24)22(19)14-9-7-13(20)8-10-14/h3-10,12H,11H2,1-2H3
InChIKey
JFCAWQQYOQIVSP-UHFFFAOYSA-N
Compound name
propan-2-yl 2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.06485 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.07213 187.1
[M+Na]+ 411.05407 203.3
[M+NH4]+ 406.09867 194.6
[M+K]+ 427.02801 193.1
[M-H]- 387.05757 190.7
[M+Na-2H]- 409.03952 194.5
[M]+ 388.06430 191.4
[M]- 388.06540 191.4
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.