CID 3001181

5-carbamothioyl-3-morpholino-pyrazine-2-carboxamide

Structural Information

Molecular Formula
C10H13N5O2S
SMILES
C1COCCN1C2=NC(=CN=C2C(=O)N)C(=S)N
InChI
InChI=1S/C10H13N5O2S/c11-8(16)7-10(15-1-3-17-4-2-15)14-6(5-13-7)9(12)18/h5H,1-4H2,(H2,11,16)(H2,12,18)
InChIKey
LVBWTUBOMQSHCJ-UHFFFAOYSA-N
Compound name
5-carbamothioyl-3-morpholin-4-ylpyrazine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.079 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.08628 159.7
[M+Na]+ 290.06822 165.5
[M-H]- 266.07172 161.7
[M+NH4]+ 285.11282 169.7
[M+K]+ 306.04216 162.2
[M+H-H2O]+ 250.07626 150.6
[M+HCOO]- 312.07720 170.8
[M+CH3COO]- 326.09285 198.7
[M+Na-2H]- 288.05367 160.2
[M]+ 267.07845 155.0
[M]- 267.07955 155.0
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.