CID 492113

Cf1398

Structural Information

Molecular Formula
C18H26N2O5
SMILES
CCCCCCCC1=CC2=CN(C(=O)N=C2O1)[C@H]3C[C@@H]([C@H](O3)CO)O
InChI
InChI=1S/C18H26N2O5/c1-2-3-4-5-6-7-13-8-12-10-20(18(23)19-17(12)24-13)16-9-14(22)15(11-21)25-16/h8,10,14-16,21-22H,2-7,9,11H2,1H3/t14-,15+,16+/m0/s1
InChIKey
MTIZSFPCLTWSOD-ARFHVFGLSA-N
Compound name
6-heptyl-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]furo[2,3-d]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

350.18417 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.19145 182.7
[M+Na]+ 373.17339 191.1
[M-H]- 349.17689 187.0
[M+NH4]+ 368.21799 194.3
[M+K]+ 389.14733 188.5
[M+H-H2O]+ 333.18143 175.8
[M+HCOO]- 395.18237 199.1
[M+CH3COO]- 409.19802 208.7
[M+Na-2H]- 371.15884 182.2
[M]+ 350.18362 189.1
[M]- 350.18472 189.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.