CID 3003781

7400-05-7

Structural Information

Molecular Formula
C10H17N3O3S
SMILES
CCOC(CC1=C(NC(=S)NC1=O)N)OCC
InChI
InChI=1S/C10H17N3O3S/c1-3-15-7(16-4-2)5-6-8(11)12-10(17)13-9(6)14/h7H,3-5H2,1-2H3,(H4,11,12,13,14,17)
InChIKey
GKSGXTLNGDMLRR-UHFFFAOYSA-N
Compound name
6-amino-5-(2,2-diethoxyethyl)-2-sulfanylidene-1H-pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
Patents

259.09906 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.10634 156.3
[M+Na]+ 282.08828 164.2
[M-H]- 258.09178 154.4
[M+NH4]+ 277.13288 169.5
[M+K]+ 298.06222 159.1
[M+H-H2O]+ 242.09632 149.2
[M+HCOO]- 304.09726 169.9
[M+CH3COO]- 318.11291 192.0
[M+Na-2H]- 280.07373 156.1
[M]+ 259.09851 157.5
[M]- 259.09961 157.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe