CID 5271448

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

Structural Information

Molecular Formula
C11H17N5O2S
SMILES
CCCCNC(=S)NNC(=O)COC1=NC=CN=C1
InChI
InChI=1S/C11H17N5O2S/c1-2-3-4-14-11(19)16-15-9(17)8-18-10-7-12-5-6-13-10/h5-7H,2-4,8H2,1H3,(H,15,17)(H2,14,16,19)
InChIKey
AKDIEZSSYMHGLK-UHFFFAOYSA-N
Compound name
1-butyl-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

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.11758 162.9
[M+Na]+ 306.09952 167.1
[M-H]- 282.10302 163.3
[M+NH4]+ 301.14412 175.4
[M+K]+ 322.07346 163.8
[M+H-H2O]+ 266.10756 153.8
[M+HCOO]- 328.10850 180.8
[M+CH3COO]- 342.12415 202.9
[M+Na-2H]- 304.08497 166.6
[M]+ 283.10975 164.1
[M]- 283.11085 164.1
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.