CID 16075398

Chembl224897

Structural Information

Molecular Formula
C15H25N7OS
SMILES
CCN(CC)C1=NC(=C2C(=N1)N=C(N2)SCC(=O)NCCCN)C
InChI
InChI=1S/C15H25N7OS/c1-4-22(5-2)14-18-10(3)12-13(20-14)21-15(19-12)24-9-11(23)17-8-6-7-16/h4-9,16H2,1-3H3,(H,17,23)(H,18,19,20,21)
InChIKey
NREQKPIRFGBVSA-UHFFFAOYSA-N
Compound name
N-(3-aminopropyl)-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

351.18414 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.19142 181.6
[M+Na]+ 374.17336 189.0
[M-H]- 350.17686 181.1
[M+NH4]+ 369.21796 192.3
[M+K]+ 390.14730 183.9
[M+H-H2O]+ 334.18140 172.5
[M+HCOO]- 396.18234 196.8
[M+CH3COO]- 410.19799 221.2
[M+Na-2H]- 372.15881 182.6
[M]+ 351.18359 186.5
[M]- 351.18469 186.5
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

No patent data available for this compound.