CID 3001180

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

Structural Information

Molecular Formula

C₁₀H₁₅N₅OS

SMILES

CC(C)CNC1=NC(=CN=C1C(=O)N)C(=S)N

InChI

InChI=1S/C10H15N5OS/c1-5(2)3-14-10-7(8(11)16)13-4-6(15-10)9(12)17/h4-5H,3H2,1-2H3,(H2,11,16)(H2,12,17)(H,14,15)

InChIKey

ITSUMQPGAYGYSB-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 253.09973 Da
Monoisotopic Mass: 1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	254.107006	157.1
[M+Na]+	276.088948	163.1
[M-H]-	252.092454	157.3
[M+NH4]+	271.133553	170.5
[M+K]+	292.062888	159.3
[M+H-H2O]+	236.096990	149.0
[M+HCOO]-	298.097931	172.5
[M+CH3COO]-	312.113581	202.7
[M+Na-2H]-	274.074396	156.3
[M]+	253.09918142	155.1
[M]-	253.10027858	155.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.