CID 5479261

L-acosamine nucleoside

Structural Information

Molecular Formula
C21H21N3O7
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@H]([C@@H](O2)[C@H](C)OC(=O)C)N3C(=O)C4=CC=CC=C4C3=O
InChI
InChI=1S/C21H21N3O7/c1-10-9-23(21(29)22-18(10)26)16-8-15(17(31-16)11(2)30-12(3)25)24-19(27)13-6-4-5-7-14(13)20(24)28/h4-7,9,11,15-17H,8H2,1-3H3,(H,22,26,29)/t11-,15+,16+,17-/m0/s1
InChIKey
GJKVGHBACKLCOR-QYHDQYMBSA-N
Compound name
[(1S)-1-[(2R,3R,5R)-3-(1,3-dioxoisoindol-2-yl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]ethyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

427.13794 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.14522 196.5
[M+Na]+ 450.12716 205.2
[M-H]- 426.13066 204.3
[M+NH4]+ 445.17176 204.8
[M+K]+ 466.10110 202.4
[M+H-H2O]+ 410.13520 188.7
[M+HCOO]- 472.13614 210.3
[M+CH3COO]- 486.15179 226.8
[M+Na-2H]- 448.11261 190.8
[M]+ 427.13739 200.3
[M]- 427.13849 200.3
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.