CID 10499106

325146-08-5

Structural Information

Molecular Formula
C17H20ClN3O2S
SMILES
CCCOC(=O)N1CCC(CC1)SC2=NC=NC3=C2C=C(C=C3)Cl
InChI
InChI=1S/C17H20ClN3O2S/c1-2-9-23-17(22)21-7-5-13(6-8-21)24-16-14-10-12(18)3-4-15(14)19-11-20-16/h3-4,10-11,13H,2,5-9H2,1H3
InChIKey
QOHMLLIYHYCWTD-UHFFFAOYSA-N
Compound name
propyl 4-(6-chloroquinazolin-4-yl)sulfanylpiperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.09647 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.10375 182.6
[M+Na]+ 388.08569 196.7
[M+NH4]+ 383.13029 190.4
[M+K]+ 404.05963 186.5
[M-H]- 364.08919 185.6
[M+Na-2H]- 386.07114 188.4
[M]+ 365.09592 186.2
[M]- 365.09702 186.2
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.