CID 2731034

893-59-4

Structural Information

Molecular Formula
C14H15N3OS
SMILES
CCOC1=CC=C(C=C1)NC(=S)NC2=CC=CC=N2
InChI
InChI=1S/C14H15N3OS/c1-2-18-12-8-6-11(7-9-12)16-14(19)17-13-5-3-4-10-15-13/h3-10H,2H2,1H3,(H2,15,16,17,19)
InChIKey
MSYXWXRWGGQMFQ-UHFFFAOYSA-N
Compound name
1-(4-ethoxyphenyl)-3-pyridin-2-ylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

273.0936 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.10088 160.4
[M+Na]+ 296.08282 166.6
[M-H]- 272.08632 165.6
[M+NH4]+ 291.12742 175.0
[M+K]+ 312.05676 161.6
[M+H-H2O]+ 256.09086 151.7
[M+HCOO]- 318.09180 179.7
[M+CH3COO]- 332.10745 200.0
[M+Na-2H]- 294.06827 164.9
[M]+ 273.09305 161.0
[M]- 273.09415 161.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe