CID 3043564

Brn 0768470

Structural Information

Molecular Formula
C19H31N3O6
SMILES
CCCCCCCCCC(=O)NC1=NC(=O)N(C=C1)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O
InChI
InChI=1S/C19H31N3O6/c1-2-3-4-5-6-7-8-9-15(24)20-14-10-11-22(19(27)21-14)18-17(26)16(25)13(12-23)28-18/h10-11,13,16-18,23,25-26H,2-9,12H2,1H3,(H,20,21,24,27)/t13-,16-,17+,18-/m1/s1
InChIKey
KZOQNDVOLFAXQQ-NKGKWGDASA-N
Compound name
N-[1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]decanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

397.22128 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.228556 196.1
[M+Na]+ 420.210498 200.0
[M-H]- 396.214004 196.4
[M+NH4]+ 415.255103 202.8
[M+K]+ 436.184438 196.8
[M+H-H2O]+ 380.218540 187.2
[M+HCOO]- 442.219481 210.0
[M+CH3COO]- 456.235131 219.0
[M+Na-2H]- 418.195946 192.8
[M]+ 397.22073142 198.6
[M]- 397.22182858 198.6
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.