CID 495892

Nsc672156

Structural Information

Molecular Formula
C16H25N3O4
SMILES
CN(C1CCCCC1)C2=CN(C(=O)NC2=O)[C@@H]3CC[C@@H](O3)CO
InChI
InChI=1S/C16H25N3O4/c1-18(11-5-3-2-4-6-11)13-9-19(16(22)17-15(13)21)14-8-7-12(10-20)23-14/h9,11-12,14,20H,2-8,10H2,1H3,(H,17,21,22)/t12-,14+/m1/s1
InChIKey
DMTNMFQFGOJLAG-OCCSQVGLSA-N
Compound name
5-[cyclohexyl(methyl)amino]-1-[(2S,5R)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.1845 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.19178 175.4
[M+Na]+ 346.17372 179.4
[M-H]- 322.17722 181.1
[M+NH4]+ 341.21832 185.7
[M+K]+ 362.14766 176.9
[M+H-H2O]+ 306.18176 166.0
[M+HCOO]- 368.18270 190.0
[M+CH3COO]- 382.19835 206.6
[M+Na-2H]- 344.15917 174.0
[M]+ 323.18395 170.6
[M]- 323.18505 170.6
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.