CID 15955939

6-decyl-3-(2-methyltetrahydrofuran-2-yl)furo[2,3-d]pyrimidin-2-one

Structural Information

Molecular Formula
C21H32N2O3
SMILES
CCCCCCCCCCC1=CC2=CN(C(=O)N=C2O1)C3(CCCO3)C
InChI
InChI=1S/C21H32N2O3/c1-3-4-5-6-7-8-9-10-12-18-15-17-16-23(20(24)22-19(17)26-18)21(2)13-11-14-25-21/h15-16H,3-14H2,1-2H3
InChIKey
VPWAJLCELUKZIG-UHFFFAOYSA-N
Compound name
6-decyl-3-(2-methyloxolan-2-yl)furo[2,3-d]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

360.2413 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.24858 188.2
[M+Na]+ 383.23052 195.9
[M-H]- 359.23402 194.1
[M+NH4]+ 378.27512 202.5
[M+K]+ 399.20446 193.2
[M+H-H2O]+ 343.23856 180.4
[M+HCOO]- 405.23950 206.4
[M+CH3COO]- 419.25515 214.6
[M+Na-2H]- 381.21597 189.1
[M]+ 360.24075 195.8
[M]- 360.24185 195.8
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.