CID 3000472

6sh-pur-2-one 7,9-dideaza acycl-nuc

Structural Information

Molecular Formula
C10H14N2O3S
SMILES
C1CC2=C(C1)N(C(=O)NC2=S)COCCO
InChI
InChI=1S/C10H14N2O3S/c13-4-5-15-6-12-8-3-1-2-7(8)9(16)11-10(12)14/h13H,1-6H2,(H,11,14,16)
InChIKey
HTNKTSQKAHKYLD-UHFFFAOYSA-N
Compound name
1-(2-hydroxyethoxymethyl)-4-sulfanylidene-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.07251 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.07979 150.7
[M+Na]+ 265.06173 160.5
[M-H]- 241.06523 150.4
[M+NH4]+ 260.10633 168.2
[M+K]+ 281.03567 155.6
[M+H-H2O]+ 225.06977 144.9
[M+HCOO]- 287.07071 164.5
[M+CH3COO]- 301.08636 184.3
[M+Na-2H]- 263.04718 152.1
[M]+ 242.07196 153.0
[M]- 242.07306 153.0
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.