CID 496707

Nsc697594

Structural Information

Molecular Formula
C16H27N3O6
SMILES
CCCCCCCN(C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=O)NC2=O)O)O)O
InChI
InChI=1S/C16H27N3O6/c1-2-3-4-5-6-8-18(24)10-11-13(21)14(22)15(25-11)19-9-7-12(20)17-16(19)23/h7,9,11,13-15,21-22,24H,2-6,8,10H2,1H3,(H,17,20,23)/t11-,13-,14-,15-/m1/s1
InChIKey
NBAPDFJQALUGTI-NMFUWQPSSA-N
Compound name
1-[(2R,3R,4S,5R)-5-[[heptyl(hydroxy)amino]methyl]-3,4-dihydroxyoxolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.18997 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.19725 183.2
[M+Na]+ 380.17919 188.4
[M-H]- 356.18269 184.0
[M+NH4]+ 375.22379 191.5
[M+K]+ 396.15313 185.7
[M+H-H2O]+ 340.18723 174.8
[M+HCOO]- 402.18817 198.1
[M+CH3COO]- 416.20382 210.9
[M+Na-2H]- 378.16464 181.3
[M]+ 357.18942 184.8
[M]- 357.19052 184.8
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.