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]+ 398.22856 196.1
[M+Na]+ 420.21050 200.0
[M-H]- 396.21400 196.4
[M+NH4]+ 415.25510 202.8
[M+K]+ 436.18444 196.8
[M+H-H2O]+ 380.21854 187.2
[M+HCOO]- 442.21948 210.0
[M+CH3COO]- 456.23513 219.0
[M+Na-2H]- 418.19595 192.8
[M]+ 397.22073 198.6
[M]- 397.22183 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.