CID 3001176

5-carbamothioyl-3-(dipropylamino)pyrazine-2-carboxamide

Structural Information

Molecular Formula
C12H19N5OS
SMILES
CCCN(CCC)C1=NC(=CN=C1C(=O)N)C(=S)N
InChI
InChI=1S/C12H19N5OS/c1-3-5-17(6-4-2)12-9(10(13)18)15-7-8(16-12)11(14)19/h7H,3-6H2,1-2H3,(H2,13,18)(H2,14,19)
InChIKey
FYKDBHZZYXCSLQ-UHFFFAOYSA-N
Compound name
5-carbamothioyl-3-(dipropylamino)pyrazine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.13104 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.13832 165.6
[M+Na]+ 304.12026 171.1
[M-H]- 280.12376 166.9
[M+NH4]+ 299.16486 178.6
[M+K]+ 320.09420 167.8
[M+H-H2O]+ 264.12830 156.8
[M+HCOO]- 326.12924 181.9
[M+CH3COO]- 340.14489 211.0
[M+Na-2H]- 302.10571 164.4
[M]+ 281.13049 166.2
[M]- 281.13159 166.2
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.