CID 3007808

Wo-00185749

Structural Information

Molecular Formula
C20H30N2O4
SMILES
CCCCCCCCCC1=CC2=CN(C(=O)N=C2O1)[C@H]3CC[C@H](O3)CO
InChI
InChI=1S/C20H30N2O4/c1-2-3-4-5-6-7-8-9-16-12-15-13-22(20(24)21-19(15)26-16)18-11-10-17(14-23)25-18/h12-13,17-18,23H,2-11,14H2,1H3/t17-,18+/m0/s1
InChIKey
IQKXBKDHCXQKLM-ZWKOTPCHSA-N
Compound name
3-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-6-nonylfuro[2,3-d]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

362.22055 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.22783 188.8
[M+Na]+ 385.20977 196.0
[M-H]- 361.21327 193.6
[M+NH4]+ 380.25437 200.4
[M+K]+ 401.18371 193.2
[M+H-H2O]+ 345.21781 181.1
[M+HCOO]- 407.21875 205.8
[M+CH3COO]- 421.23440 213.2
[M+Na-2H]- 383.19522 188.0
[M]+ 362.22000 195.7
[M]- 362.22110 195.7
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.