CID 135398728

2',3'-cyclic gmp

Structural Information

Molecular Formula
C10H12N5O7P
SMILES
C1=NC2=C(N1[C@H]3[C@H]4[C@@H]([C@H](O3)CO)OP(=O)(O4)O)N=C(NC2=O)N
InChI
InChI=1S/C10H12N5O7P/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-6-5(3(1-16)20-9)21-23(18,19)22-6/h2-3,5-6,9,16H,1H2,(H,18,19)(H3,11,13,14,17)/t3-,5-,6-,9-/m1/s1
InChIKey
UASRYODFRYWBRC-UUOKFMHZSA-N
Compound name
9-[(3aR,4R,6R,6aR)-2-hydroxy-6-(hydroxymethyl)-2-oxo-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-4-yl]-2-amino-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

11
References

290
Patents

345.04742 Da
Monoisotopic Mass

-3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.05470 170.1
[M+Na]+ 368.03664 180.1
[M-H]- 344.04014 172.4
[M+NH4]+ 363.08124 181.1
[M+K]+ 384.01058 180.6
[M+H-H2O]+ 328.04468 162.8
[M+HCOO]- 390.04562 188.2
[M+CH3COO]- 404.06127 180.4
[M+Na-2H]- 366.02209 168.6
[M]+ 345.04687 173.3
[M]- 345.04797 173.3
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.