CID 16075397

Chembl224165

Structural Information

Molecular Formula
C14H23N7OS
SMILES
CCN(CC)C1=NC(=C2C(=N1)N=C(N2)SCC(=O)NCCN)C
InChI
InChI=1S/C14H23N7OS/c1-4-21(5-2)13-17-9(3)11-12(19-13)20-14(18-11)23-8-10(22)16-7-6-15/h4-8,15H2,1-3H3,(H,16,22)(H,17,18,19,20)
InChIKey
YBEUBAMGGCEWEL-UHFFFAOYSA-N
Compound name
N-(2-aminoethyl)-2-[[2-(diethylamino)-6-methyl-7H-purin-8-yl]sulfanyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

337.1685 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.17578 177.6
[M+Na]+ 360.15772 185.3
[M-H]- 336.16122 177.3
[M+NH4]+ 355.20232 188.8
[M+K]+ 376.13166 180.5
[M+H-H2O]+ 320.16576 168.6
[M+HCOO]- 382.16670 193.1
[M+CH3COO]- 396.18235 218.3
[M+Na-2H]- 358.14317 179.0
[M]+ 337.16795 182.1
[M]- 337.16905 182.1
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.