CID 454203

Nsc674464

Structural Information

Molecular Formula
C17H21N3O5
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@H]([C@H](O2)CO)N(CC3=CC=CC=C3)O
InChI
InChI=1S/C17H21N3O5/c1-11-8-19(17(23)18-16(11)22)15-7-13(14(10-21)25-15)20(24)9-12-5-3-2-4-6-12/h2-6,8,13-15,21,24H,7,9-10H2,1H3,(H,18,22,23)/t13-,14-,15-/m1/s1
InChIKey
IGGPQIKMNQRCLB-RBSFLKMASA-N
Compound name
1-[(2R,4R,5S)-4-[benzyl(hydroxy)amino]-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.14813 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.15541 179.2
[M+Na]+ 370.13735 186.0
[M-H]- 346.14085 185.2
[M+NH4]+ 365.18195 188.2
[M+K]+ 386.11129 182.8
[M+H-H2O]+ 330.14539 170.0
[M+HCOO]- 392.14633 196.5
[M+CH3COO]- 406.16198 209.9
[M+Na-2H]- 368.12280 179.2
[M]+ 347.14758 179.1
[M]- 347.14868 179.1
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.