CID 496910

Nsc706118

Structural Information

Molecular Formula
C14H21N3O5Se
SMILES
CC1=CN(C(=O)NC1=O)C2CC3C(O2)COC(N3O)CC[Se]C
InChI
InChI=1S/C14H21N3O5Se/c1-8-6-16(14(19)15-13(8)18)12-5-9-10(22-12)7-21-11(17(9)20)3-4-23-2/h6,9-12,20H,3-5,7H2,1-2H3,(H,15,18,19)
InChIKey
JBTSVIQYCHRZJV-UHFFFAOYSA-N
Compound name
1-[1-hydroxy-2-(2-methylselanylethyl)-2,4,4a,6,7,7a-hexahydrofuro[3,2-d][1,3]oxazin-6-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.06464 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.07192 189.5
[M+Na]+ 414.05386 197.1
[M-H]- 390.05736 191.3
[M+NH4]+ 409.09846 198.0
[M+K]+ 430.02780 194.2
[M+H-H2O]+ 374.06190 180.5
[M+HCOO]- 436.06284 199.7
[M+CH3COO]- 450.07849 207.1
[M+Na-2H]- 412.03931 187.8
[M]+ 391.06409 190.0
[M]- 391.06519 190.0
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.