CID 21149669

5-(n-ethylanilino)methyl-2-thiouracil

Structural Information

Molecular Formula
C13H15N3OS
SMILES
CCN(CC1=CNC(=S)NC1=O)C2=CC=CC=C2
InChI
InChI=1S/C13H15N3OS/c1-2-16(11-6-4-3-5-7-11)9-10-8-14-13(18)15-12(10)17/h3-8H,2,9H2,1H3,(H2,14,15,17,18)
InChIKey
DPDHHUVPHYMCBT-UHFFFAOYSA-N
Compound name
5-[(N-ethylanilino)methyl]-2-sulfanylidene-1H-pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.0936 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.10088 157.1
[M+Na]+ 284.08282 170.4
[M+NH4]+ 279.12742 164.4
[M+K]+ 300.05676 161.6
[M-H]- 260.08632 160.4
[M+Na-2H]- 282.06827 165.0
[M]+ 261.09305 160.3
[M]- 261.09415 160.3
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.