CID 496532

Nsc693105

Structural Information

Molecular Formula
C20H29N3O5
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@H]([C@H](O2)CO)N(C3C4CC5CC(C4)CC3C5)O
InChI
InChI=1S/C20H29N3O5/c1-10-8-22(20(26)21-19(10)25)17-7-15(16(9-24)28-17)23(27)18-13-3-11-2-12(5-13)6-14(18)4-11/h8,11-18,24,27H,2-7,9H2,1H3,(H,21,25,26)/t11?,12?,13?,14?,15-,16-,17-,18?/m1/s1
InChIKey
PEHZPAXWQNHYGD-QMMQBKICSA-N
Compound name
1-[(2R,4R,5S)-4-[2-adamantyl(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

391.21072 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.21800 184.2
[M+Na]+ 414.19994 185.0
[M-H]- 390.20344 181.2
[M+NH4]+ 409.24454 196.8
[M+K]+ 430.17388 182.7
[M+H-H2O]+ 374.20798 176.4
[M+HCOO]- 436.20892 184.0
[M+CH3COO]- 450.22457 189.1
[M+Na-2H]- 412.18539 187.0
[M]+ 391.21017 184.3
[M]- 391.21127 184.3
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.