CID 3045028

Brn 0588679

Structural Information

Molecular Formula
C16H20N6O4
SMILES
C=CCN(CC=C)C(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O
InChI
InChI=1S/C16H20N6O4/c1-3-5-21(6-4-2)15(25)12-10(23)11(24)16(26-12)22-8-20-9-13(17)18-7-19-14(9)22/h3-4,7-8,10-12,16,23-24H,1-2,5-6H2,(H2,17,18,19)/t10-,11+,12-,16+/m0/s1
InChIKey
IECBMMQAIFSRTH-MEQWQQMJSA-N
Compound name
(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-N,N-bis(prop-2-enyl)oxolane-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.1546 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.16188 183.6
[M+Na]+ 383.14382 191.5
[M+NH4]+ 378.18842 186.1
[M+K]+ 399.11776 193.4
[M-H]- 359.14732 183.9
[M+Na-2H]- 381.12927 183.8
[M]+ 360.15405 184.0
[M]- 360.15515 184.0
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.