CID 5274118

7-[(3s,5s)-5-(benzyloxymethyl)tetrahydrofuran-3-yl]pyrrolo[2,3-d]pyrimidin-4-amine

Structural Information

Molecular Formula
C18H20N4O2
SMILES
C1[C@@H](CO[C@@H]1COCC2=CC=CC=C2)N3C=CC4=C(N=CN=C43)N
InChI
InChI=1S/C18H20N4O2/c19-17-16-6-7-22(18(16)21-12-20-17)14-8-15(24-10-14)11-23-9-13-4-2-1-3-5-13/h1-7,12,14-15H,8-11H2,(H2,19,20,21)/t14-,15-/m0/s1
InChIKey
JPMTXDYBMGVYPU-GJZGRUSLSA-N
Compound name
7-[(3S,5S)-5-(phenylmethoxymethyl)oxolan-3-yl]pyrrolo[2,3-d]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.15863 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.16591 173.2
[M+Na]+ 347.14785 181.2
[M-H]- 323.15135 180.8
[M+NH4]+ 342.19245 185.7
[M+K]+ 363.12179 177.1
[M+H-H2O]+ 307.15589 163.2
[M+HCOO]- 369.15683 193.4
[M+CH3COO]- 383.17248 184.1
[M+Na-2H]- 345.13330 175.5
[M]+ 324.15808 174.6
[M]- 324.15918 174.6
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.