CID 49859728

Cdp-2-glycerol

Structural Information

Molecular Formula
C12H21N3O13P2
SMILES
C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC(CO)CO)O)O
InChI
InChI=1S/C12H21N3O13P2/c13-8-1-2-15(12(20)14-8)11-10(19)9(18)7(26-11)5-25-29(21,22)28-30(23,24)27-6(3-16)4-17/h1-2,6-7,9-11,16-19H,3-5H2,(H,21,22)(H,23,24)(H2,13,14,20)/t7-,9-,10-,11-/m1/s1
InChIKey
YPKWBIWRQWQACN-QCNRFFRDSA-N
Compound name
[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] 1,3-dihydroxypropan-2-yl hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

477.05496 Da
Monoisotopic Mass

-5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 478.06224 195.6
[M+Na]+ 500.04418 198.7
[M-H]- 476.04768 191.2
[M+NH4]+ 495.08878 195.3
[M+K]+ 516.01812 194.9
[M+H-H2O]+ 460.05222 181.4
[M+HCOO]- 522.05316 198.1
[M+CH3COO]- 536.06881 225.5
[M+Na-2H]- 498.02963 201.9
[M]+ 477.05441 189.9
[M]- 477.05551 189.9
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.