CID 2771013

N-pyrazinylthiourea

Structural Information

Molecular Formula
C5H6N4S
SMILES
C1=CN=C(C=N1)NC(=S)N
InChI
InChI=1S/C5H6N4S/c6-5(10)9-4-3-7-1-2-8-4/h1-3H,(H3,6,8,9,10)
InChIKey
TWGSSYKLXJRVDA-UHFFFAOYSA-N
Compound name
pyrazin-2-ylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

83
Patents

154.03131 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.03859 128.0
[M+Na]+ 177.02053 136.0
[M-H]- 153.02403 128.9
[M+NH4]+ 172.06513 146.0
[M+K]+ 192.99447 132.8
[M+H-H2O]+ 137.02857 120.8
[M+HCOO]- 199.02951 146.6
[M+CH3COO]- 213.04516 176.8
[M+Na-2H]- 175.00598 133.7
[M]+ 154.03076 125.7
[M]- 154.03186 125.7
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.