CID 496426

Nsc688959

Structural Information

Molecular Formula
C16H18N2O4Se
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@H]([C@H](O2)CO)[Se]C3=CC=CC=C3
InChI
InChI=1S/C16H18N2O4Se/c1-10-8-18(16(21)17-15(10)20)14-7-13(12(9-19)22-14)23-11-5-3-2-4-6-11/h2-6,8,12-14,19H,7,9H2,1H3,(H,17,20,21)/t12-,13-,14-/m1/s1
InChIKey
KQQMAWGZCDIFDY-MGPQQGTHSA-N
Compound name
1-[(2R,4R,5R)-5-(hydroxymethyl)-4-phenylselanyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.04318 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.05046 184.7
[M+Na]+ 405.03240 192.6
[M-H]- 381.03590 190.0
[M+NH4]+ 400.07700 194.9
[M+K]+ 421.00634 187.7
[M+H-H2O]+ 365.04044 175.2
[M+HCOO]- 427.04138 201.1
[M+CH3COO]- 441.05703 203.5
[M+Na-2H]- 403.01785 183.7
[M]+ 382.04263 184.3
[M]- 382.04373 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.