CID 135459834

2-[(2-amino-6-oxo-1h-purin-9-yl)methoxy]ethyl (2r)-2-amino-2-pyrrolidin-2-yl-acetate

Structural Information

Molecular Formula
C14H21N7O4
SMILES
C1CC(NC1)[C@H](C(=O)OCCOCN2C=NC3=C2N=C(NC3=O)N)N
InChI
InChI=1S/C14H21N7O4/c15-9(8-2-1-3-17-8)13(23)25-5-4-24-7-21-6-18-10-11(21)19-14(16)20-12(10)22/h6,8-9,17H,1-5,7,15H2,(H3,16,19,20,22)/t8?,9-/m1/s1
InChIKey
JXXWPNZPMXSGKF-YGPZHTELSA-N
Compound name
2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]ethyl (2R)-2-amino-2-pyrrolidin-2-ylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.1655 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.17278 175.5
[M+Na]+ 374.15472 181.3
[M-H]- 350.15822 174.6
[M+NH4]+ 369.19932 183.7
[M+K]+ 390.12866 177.4
[M+H-H2O]+ 334.16276 165.8
[M+HCOO]- 396.16370 190.4
[M+CH3COO]- 410.17935 210.7
[M+Na-2H]- 372.14017 175.2
[M]+ 351.16495 173.6
[M]- 351.16605 173.6
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.