CID 154837839

1-{2-[(9h-purin-6-yl)sulfanyl]ethyl}pyrrolidin-2-one

Structural Information

Molecular Formula
C11H13N5OS
SMILES
C1CC(=O)N(C1)CCSC2=NC=NC3=C2NC=N3
InChI
InChI=1S/C11H13N5OS/c17-8-2-1-3-16(8)4-5-18-11-9-10(13-6-12-9)14-7-15-11/h6-7H,1-5H2,(H,12,13,14,15)
InChIKey
OYAIJZAKIFCNCV-UHFFFAOYSA-N
Compound name
1-[2-(7H-purin-6-ylsulfanyl)ethyl]pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.08408 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.09136 157.7
[M+Na]+ 286.07330 169.5
[M+NH4]+ 281.11790 164.4
[M+K]+ 302.04724 165.2
[M-H]- 262.07680 158.0
[M+Na-2H]- 284.05875 162.1
[M]+ 263.08353 159.6
[M]- 263.08463 159.6
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

No patent data available for this compound.