CID 5271445

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

Structural Information

Molecular Formula
C13H12ClN5O2S
SMILES
C1=CC(=CC=C1NC(=S)NNC(=O)COC2=NC=CN=C2)Cl
InChI
InChI=1S/C13H12ClN5O2S/c14-9-1-3-10(4-2-9)17-13(22)19-18-11(20)8-21-12-7-15-5-6-16-12/h1-7H,8H2,(H,18,20)(H2,17,19,22)
InChIKey
XRBIKWMPJBOSBV-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-3-[(2-pyrazin-2-yloxyacetyl)amino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

337.04 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.04728 171.1
[M+Na]+ 360.02922 177.4
[M-H]- 336.03272 175.1
[M+NH4]+ 355.07382 182.2
[M+K]+ 376.00316 171.5
[M+H-H2O]+ 320.03726 162.4
[M+HCOO]- 382.03820 185.4
[M+CH3COO]- 396.05385 209.6
[M+Na-2H]- 358.01467 175.8
[M]+ 337.03945 173.2
[M]- 337.04055 173.2
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.