CID 136966282

1401562-16-0

Structural Information

Molecular Formula
C15H24N6O5
SMILES
CC(C)[C@@H](C(=O)OCC(CO)OCN1C=NC2=C1N=C(NC2=O)N)NC
InChI
InChI=1S/C15H24N6O5/c1-8(2)10(17-3)14(24)25-5-9(4-22)26-7-21-6-18-11-12(21)19-15(16)20-13(11)23/h6,8-10,17,22H,4-5,7H2,1-3H3,(H3,16,19,20,23)/t9?,10-/m0/s1
InChIKey
XCULVLZZAGESAT-AXDSSHIGSA-N
Compound name
[2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]-3-hydroxypropyl] (2S)-3-methyl-2-(methylamino)butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.18082 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.18810 183.5
[M+Na]+ 391.17004 189.1
[M-H]- 367.17354 180.8
[M+NH4]+ 386.21464 191.1
[M+K]+ 407.14398 187.0
[M+H-H2O]+ 351.17808 174.5
[M+HCOO]- 413.17902 198.7
[M+CH3COO]- 427.19467 218.3
[M+Na-2H]- 389.15549 183.6
[M]+ 368.18027 186.8
[M]- 368.18137 186.8
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.