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]+ 265.07536 156.5
[M+Na]+ 287.05730 166.3
[M-H]- 263.06080 159.4
[M+NH4]+ 282.10190 169.7
[M+K]+ 303.03124 160.1
[M+H-H2O]+ 247.06534 148.4
[M+HCOO]- 309.06628 173.9
[M+CH3COO]- 323.08193 196.8
[M+Na-2H]- 285.04275 159.0
[M]+ 264.06753 156.2
[M]- 264.06863 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.