CID 168445507

2842847-62-3

Structural Information

Molecular Formula
C23H27N5O7
SMILES
CC(C)(C)C(=O)OCO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)NC(=O)C4=CC=CC=C4)CO)O
InChI
InChI=1S/C23H27N5O7/c1-23(2,3)22(32)34-12-33-17-16(30)14(9-29)35-21(17)28-11-26-15-18(24-10-25-19(15)28)27-20(31)13-7-5-4-6-8-13/h4-8,10-11,14,16-17,21,29-30H,9,12H2,1-3H3,(H,24,25,27,31)/t14-,16-,17-,21-/m1/s1
InChIKey
HNTKEEIVPSGJCI-VGKBRBPRSA-N
Compound name
[(2R,3R,4R,5R)-2-(6-benzamidopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]oxymethyl 2,2-dimethylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

485.19104 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 486.19832 211.0
[M+Na]+ 508.18026 219.4
[M+NH4]+ 503.22486 212.3
[M+K]+ 524.15420 222.4
[M-H]- 484.18376 211.9
[M+Na-2H]- 506.16571 212.9
[M]+ 485.19049 211.9
[M]- 485.19159 211.9
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.