CID 454931

D4a 5'-opo3h2(ph)

Structural Information

Molecular Formula
C16H16N5O5P
SMILES
C1=CC=C(C=C1)OP(=O)(O)OC[C@@H]2C=C[C@@H](O2)N3C=NC4=C(N=CN=C43)N
InChI
InChI=1S/C16H16N5O5P/c17-15-14-16(19-9-18-15)21(10-20-14)13-7-6-12(25-13)8-24-27(22,23)26-11-4-2-1-3-5-11/h1-7,9-10,12-13H,8H2,(H,22,23)(H2,17,18,19)/t12-,13+/m0/s1
InChIKey
NJHIDMZOPYPVEJ-QWHCGFSZSA-N
Compound name
[(2S,5R)-5-(6-aminopurin-9-yl)-2,5-dihydrofuran-2-yl]methyl phenyl hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

389.0889 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.09618 183.3
[M+Na]+ 412.07812 190.4
[M-H]- 388.08162 188.0
[M+NH4]+ 407.12272 190.8
[M+K]+ 428.05206 188.6
[M+H-H2O]+ 372.08616 171.0
[M+HCOO]- 434.08710 206.0
[M+CH3COO]- 448.10275 215.9
[M+Na-2H]- 410.06357 184.7
[M]+ 389.08835 186.6
[M]- 389.08945 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

literature stripe

Patent stripe

No patent data available for this compound.