CID 5271447

1-(4-ethoxyphenyl)-3-[(2-pyrazin-2-yloxyacetyl)amino]thiourea

Structural Information

Molecular Formula
C15H17N5O3S
SMILES
CCOC1=CC=C(C=C1)NC(=S)NNC(=O)COC2=NC=CN=C2
InChI
InChI=1S/C15H17N5O3S/c1-2-22-12-5-3-11(4-6-12)18-15(24)20-19-13(21)10-23-14-9-16-7-8-17-14/h3-9H,2,10H2,1H3,(H,19,21)(H2,18,20,24)
InChIKey
DVWLVRNMNWPNAZ-UHFFFAOYSA-N
Compound name
1-(4-ethoxyphenyl)-3-[(2-pyrazin-2-yloxyacetyl)amino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

347.10522 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.11250 176.9
[M+Na]+ 370.09444 181.4
[M-H]- 346.09794 180.6
[M+NH4]+ 365.13904 186.5
[M+K]+ 386.06838 177.1
[M+H-H2O]+ 330.10248 166.8
[M+HCOO]- 392.10342 195.3
[M+CH3COO]- 406.11907 214.1
[M+Na-2H]- 368.07989 181.3
[M]+ 347.10467 178.9
[M]- 347.10577 178.9
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.