CID 454867

N,n-dibenzyl-9-[(2r,4s)-4-benzyloxy-5-methylene-tetrahydrofuran-2-yl]purin-6-amine

Structural Information

Molecular Formula
C31H29N5O2
SMILES
C=C1[C@H](C[C@@H](O1)N2C=NC3=C2N=CN=C3N(CC4=CC=CC=C4)CC5=CC=CC=C5)OCC6=CC=CC=C6
InChI
InChI=1S/C31H29N5O2/c1-23-27(37-20-26-15-9-4-10-16-26)17-28(38-23)36-22-34-29-30(32-21-33-31(29)36)35(18-24-11-5-2-6-12-24)19-25-13-7-3-8-14-25/h2-16,21-22,27-28H,1,17-20H2/t27-,28+/m0/s1
InChIKey
GDCUDIFXHHMWDF-WUFINQPMSA-N
Compound name
N,N-dibenzyl-9-[(2R,4S)-5-methylidene-4-phenylmethoxyoxolan-2-yl]purin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

503.23212 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 504.23940 220.0
[M+Na]+ 526.22134 225.1
[M-H]- 502.22484 232.9
[M+NH4]+ 521.26594 222.8
[M+K]+ 542.19528 218.3
[M+H-H2O]+ 486.22938 205.5
[M+HCOO]- 548.23032 237.0
[M+CH3COO]- 562.24597 226.7
[M+Na-2H]- 524.20679 218.4
[M]+ 503.23157 221.7
[M]- 503.23267 221.7
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.