CID 5271450

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

Structural Information

Molecular Formula
C11H17N5O2S
SMILES
CC(C)CNC(=S)NNC(=O)COC1=NC=CN=C1
InChI
InChI=1S/C11H17N5O2S/c1-8(2)5-14-11(19)16-15-9(17)7-18-10-6-12-3-4-13-10/h3-4,6,8H,5,7H2,1-2H3,(H,15,17)(H2,14,16,19)
InChIKey
SYZKTLZXCATUON-UHFFFAOYSA-N
Compound name
1-(2-methylpropyl)-3-[(2-pyrazin-2-yloxyacetyl)amino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

283.1103 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.11758 163.9
[M+Na]+ 306.09952 167.7
[M-H]- 282.10302 164.3
[M+NH4]+ 301.14412 176.3
[M+K]+ 322.07346 165.0
[M+H-H2O]+ 266.10756 154.9
[M+HCOO]- 328.10850 180.7
[M+CH3COO]- 342.12415 203.8
[M+Na-2H]- 304.08497 166.4
[M]+ 283.10975 164.5
[M]- 283.11085 164.5
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.