CID 165429813

(3r)-3-isocyanylbutanoyl-amp

Structural Information

Molecular Formula
C15H19N6O8P
SMILES
C[C@H](CC(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O)[N+]#[C-]
InChI
InChI=1S/C15H19N6O8P/c1-7(17-2)3-9(22)29-30(25,26)27-4-8-11(23)12(24)15(28-8)21-6-20-10-13(16)18-5-19-14(10)21/h5-8,11-12,15,23-24H,3-4H2,1H3,(H,25,26)(H2,16,18,19)/t7-,8-,11-,12-,15-/m1/s1
InChIKey
JBFSKHOPBPNSQO-RLNMVWRESA-N
Compound name
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] (3R)-3-isocyanobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

442.1002 Da
Monoisotopic Mass

-2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.10748 190.1
[M+Na]+ 465.08942 196.0
[M+NH4]+ 460.13402 187.4
[M+K]+ 481.06336 199.4
[M-H]- 441.09292 180.9
[M+Na-2H]- 463.07487 185.5
[M]+ 442.09965 186.6
[M]- 442.10075 186.6
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.