CID 50743366

4-(6-chloropyrimidin-4-yl)thiomorpholine

Structural Information

Molecular Formula
C8H10ClN3S
SMILES
C1CSCCN1C2=CC(=NC=N2)Cl
InChI
InChI=1S/C8H10ClN3S/c9-7-5-8(11-6-10-7)12-1-3-13-4-2-12/h5-6H,1-4H2
InChIKey
NDRVAVOINNYSNQ-UHFFFAOYSA-N
Compound name
4-(6-chloropyrimidin-4-yl)thiomorpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.0284 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.035676 141.5
[M+Na]+ 238.017618 149.7
[M-H]- 214.021124 143.6
[M+NH4]+ 233.062223 157.2
[M+K]+ 253.991558 145.1
[M+H-H2O]+ 198.025660 133.5
[M+HCOO]- 260.026601 149.9
[M+CH3COO]- 274.042251 152.8
[M+Na-2H]- 236.003066 145.2
[M]+ 215.02785142 140.0
[M]- 215.02894858 140.0
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.