CID 49866558

6-n-methyl-damp

Structural Information

Molecular Formula
C11H16N5O6P
SMILES
CNC1=C2C(=NC=N1)N(C=N2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O
InChI
InChI=1S/C11H16N5O6P/c1-12-10-9-11(14-4-13-10)16(5-15-9)8-2-6(17)7(22-8)3-21-23(18,19)20/h4-8,17H,2-3H2,1H3,(H,12,13,14)(H2,18,19,20)/t6-,7+,8+/m0/s1
InChIKey
MGKYNCZAQIZDCV-XLPZGREQSA-N
Compound name
[(2R,3S,5R)-3-hydroxy-5-[6-(methylamino)purin-9-yl]oxolan-2-yl]methyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

345.08383 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.09111 173.5
[M+Na]+ 368.07305 180.4
[M-H]- 344.07655 173.0
[M+NH4]+ 363.11765 182.4
[M+K]+ 384.04699 179.7
[M+H-H2O]+ 328.08109 163.4
[M+HCOO]- 390.08203 193.1
[M+CH3COO]- 404.09768 205.3
[M+Na-2H]- 366.05850 174.5
[M]+ 345.08328 175.8
[M]- 345.08438 175.8
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

patents stripe