CID 3021528

5-(p-phenetidinomethyl)-2-thiouracil

Structural Information

Molecular Formula
C13H15N3O2S
SMILES
CCOC1=CC=C(C=C1)NCC2=CNC(=S)NC2=O
InChI
InChI=1S/C13H15N3O2S/c1-2-18-11-5-3-10(4-6-11)14-7-9-8-15-13(19)16-12(9)17/h3-6,8,14H,2,7H2,1H3,(H2,15,16,17,19)
InChIKey
WCIRMYLZQFYTER-UHFFFAOYSA-N
Compound name
5-[(4-ethoxyanilino)methyl]-2-sulfanylidene-1H-pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.0885 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.09578 161.3
[M+Na]+ 300.07772 174.2
[M+NH4]+ 295.12232 167.7
[M+K]+ 316.05166 165.6
[M-H]- 276.08122 163.7
[M+Na-2H]- 298.06317 168.1
[M]+ 277.08795 164.1
[M]- 277.08905 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.