CID 3002342

6-imidazol-1-yl-n-(morpholinomethyl)pyrazine-2-carbothioamide

Structural Information

Molecular Formula
C13H16N6OS
SMILES
C1COCCN1CNC(=S)C2=CN=CC(=N2)N3C=CN=C3
InChI
InChI=1S/C13H16N6OS/c21-13(16-10-18-3-5-20-6-4-18)11-7-15-8-12(17-11)19-2-1-14-9-19/h1-2,7-9H,3-6,10H2,(H,16,21)
InChIKey
YOHKQYBAIXEFQZ-UHFFFAOYSA-N
Compound name
6-imidazol-1-yl-N-(morpholin-4-ylmethyl)pyrazine-2-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

304.11063 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.11791 167.7
[M+Na]+ 327.09985 174.3
[M-H]- 303.10335 171.2
[M+NH4]+ 322.14445 176.1
[M+K]+ 343.07379 170.2
[M+H-H2O]+ 287.10789 157.0
[M+HCOO]- 349.10883 178.7
[M+CH3COO]- 363.12448 176.6
[M+Na-2H]- 325.08530 169.1
[M]+ 304.11008 165.6
[M]- 304.11118 165.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.