CID 5484342

82499-18-1

Structural Information

Molecular Formula
C9H13N5O3S
SMILES
CCOCCNS(=O)(=O)C1=NC=NC2=C1NC=N2
InChI
InChI=1S/C9H13N5O3S/c1-2-17-4-3-14-18(15,16)9-7-8(11-5-10-7)12-6-13-9/h5-6,14H,2-4H2,1H3,(H,10,11,12,13)
InChIKey
UMMSDMIIDBQULQ-UHFFFAOYSA-N
Compound name
N-(2-ethoxyethyl)-7H-purine-6-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.0739 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.08118 157.6
[M+Na]+ 294.06312 168.0
[M-H]- 270.06662 156.5
[M+NH4]+ 289.10772 171.2
[M+K]+ 310.03706 163.7
[M+H-H2O]+ 254.07116 150.1
[M+HCOO]- 316.07210 172.9
[M+CH3COO]- 330.08775 192.0
[M+Na-2H]- 292.04857 164.5
[M]+ 271.07335 162.9
[M]- 271.07445 162.9
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.