CID 5271449

1-isopropyl-3-[(2-pyrazin-2-yloxyacetyl)amino]thiourea

Structural Information

Molecular Formula
C10H15N5O2S
SMILES
CC(C)NC(=S)NNC(=O)COC1=NC=CN=C1
InChI
InChI=1S/C10H15N5O2S/c1-7(2)13-10(18)15-14-8(16)6-17-9-5-11-3-4-12-9/h3-5,7H,6H2,1-2H3,(H,14,16)(H2,13,15,18)
InChIKey
OGGTUICWZODBFC-UHFFFAOYSA-N
Compound name
1-propan-2-yl-3-[(2-pyrazin-2-yloxyacetyl)amino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

269.09464 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.10192 159.7
[M+Na]+ 292.08386 164.0
[M-H]- 268.08736 160.3
[M+NH4]+ 287.12846 172.6
[M+K]+ 308.05780 161.5
[M+H-H2O]+ 252.09190 150.9
[M+HCOO]- 314.09284 176.8
[M+CH3COO]- 328.10849 200.8
[M+Na-2H]- 290.06931 162.6
[M]+ 269.09409 159.9
[M]- 269.09519 159.9
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.