CID 135434139

2,4-diamino-5-(3-methoxyphenyl)sulfanyl-1h-pyrimidin-6-one

Structural Information

Molecular Formula
C11H12N4O2S
SMILES
COC1=CC(=CC=C1)SC2=C(N=C(NC2=O)N)N
InChI
InChI=1S/C11H12N4O2S/c1-17-6-3-2-4-7(5-6)18-8-9(12)14-11(13)15-10(8)16/h2-5H,1H3,(H5,12,13,14,15,16)
InChIKey
FTYGIZBMGOHFRW-UHFFFAOYSA-N
Compound name
2,4-diamino-5-(3-methoxyphenyl)sulfanyl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.06808 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.075356 156.5
[M+Na]+ 287.057298 166.3
[M-H]- 263.060804 159.4
[M+NH4]+ 282.101903 169.7
[M+K]+ 303.031238 160.1
[M+H-H2O]+ 247.065340 148.4
[M+HCOO]- 309.066281 173.9
[M+CH3COO]- 323.081931 196.8
[M+Na-2H]- 285.042746 159.0
[M]+ 264.06753142 156.2
[M]- 264.06862858 156.2
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.