CID 43148919

(6-methoxypyridin-3-yl)thiourea

Structural Information

Molecular Formula
C7H9N3OS
SMILES
COC1=NC=C(C=C1)NC(=S)N
InChI
InChI=1S/C7H9N3OS/c1-11-6-3-2-5(4-9-6)10-7(8)12/h2-4H,1H3,(H3,8,10,12)
InChIKey
PFXJBCYUIINVDK-UHFFFAOYSA-N
Compound name
(6-methoxy-3-pyridinyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

183.04663 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.053906 136.2
[M+Na]+ 206.035848 143.9
[M-H]- 182.039354 138.4
[M+NH4]+ 201.080453 154.5
[M+K]+ 222.009788 140.9
[M+H-H2O]+ 166.043890 129.3
[M+HCOO]- 228.044831 155.5
[M+CH3COO]- 242.060481 183.3
[M+Na-2H]- 204.021296 140.1
[M]+ 183.04608142 135.8
[M]- 183.04717858 135.8
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

patents stripe