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]+ 325.165906 173.2
[M+Na]+ 347.147848 181.2
[M-H]- 323.151354 180.8
[M+NH4]+ 342.192453 185.7
[M+K]+ 363.121788 177.1
[M+H-H2O]+ 307.155890 163.2
[M+HCOO]- 369.156831 193.4
[M+CH3COO]- 383.172481 184.1
[M+Na-2H]- 345.133296 175.5
[M]+ 324.15808142 174.6
[M]- 324.15917858 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.