CID 49767750

L-5'-val-dapd

Structural Information

Molecular Formula
C14H21N7O4
SMILES
CC(C)[C@@H](C(=O)OC[C@@H]1OC[C@@H](O1)N2C=NC3=C(N=C(N=C32)N)N)N
InChI
InChI=1S/C14H21N7O4/c1-6(2)9(15)13(22)24-4-8-23-3-7(25-8)21-5-18-10-11(16)19-14(17)20-12(10)21/h5-9H,3-4,15H2,1-2H3,(H4,16,17,19,20)/t7-,8-,9+/m1/s1
InChIKey
YUKLGICEDIOMJL-HLTSFMKQSA-N
Compound name
[(2R,4R)-4-(2,6-diaminopurin-9-yl)-1,3-dioxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

351.1655 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.17278 182.5
[M+Na]+ 374.15472 189.0
[M-H]- 350.15822 186.5
[M+NH4]+ 369.19932 190.4
[M+K]+ 390.12866 188.9
[M+H-H2O]+ 334.16276 173.3
[M+HCOO]- 396.16370 198.8
[M+CH3COO]- 410.17935 220.5
[M+Na-2H]- 372.14017 180.9
[M]+ 351.16495 183.7
[M]- 351.16605 183.7
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.