CID 3021527

5-(p-anisidinomethyl)-2-thiouracil

Structural Information

Molecular Formula
C12H13N3O2S
SMILES
COC1=CC=C(C=C1)NCC2=CNC(=S)NC2=O
InChI
InChI=1S/C12H13N3O2S/c1-17-10-4-2-9(3-5-10)13-6-8-7-14-12(18)15-11(8)16/h2-5,7,13H,6H2,1H3,(H2,14,15,16,18)
InChIKey
YEGLYJJOEJIGPX-UHFFFAOYSA-N
Compound name
5-[(4-methoxyanilino)methyl]-2-sulfanylidene-1H-pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.07285 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.08013 156.9
[M+Na]+ 286.06207 170.1
[M+NH4]+ 281.10667 163.6
[M+K]+ 302.03601 161.7
[M-H]- 262.06557 159.4
[M+Na-2H]- 284.04752 164.0
[M]+ 263.07230 159.8
[M]- 263.07340 159.8
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.