CID 3000615

6-(2,6-dimethylmorpholin-4-yl)pyrazine-2-carbothioamide

Structural Information

Molecular Formula
C11H16N4OS
SMILES
CC1CN(CC(O1)C)C2=NC(=CN=C2)C(=S)N
InChI
InChI=1S/C11H16N4OS/c1-7-5-15(6-8(2)16-7)10-4-13-3-9(14-10)11(12)17/h3-4,7-8H,5-6H2,1-2H3,(H2,12,17)
InChIKey
ZWWQOMVAHKUVMR-UHFFFAOYSA-N
Compound name
6-(2,6-dimethylmorpholin-4-yl)pyrazine-2-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

252.10448 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.11176 158.3
[M+Na]+ 275.09370 165.7
[M-H]- 251.09720 161.0
[M+NH4]+ 270.13830 170.2
[M+K]+ 291.06764 162.2
[M+H-H2O]+ 235.10174 149.5
[M+HCOO]- 297.10268 169.3
[M+CH3COO]- 311.11833 195.8
[M+Na-2H]- 273.07915 158.7
[M]+ 252.10393 155.9
[M]- 252.10503 155.9
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.