CID 6482294

Chembl364584

Structural Information

Molecular Formula
C19H31N3O3
SMILES
CCCCCCCCCCC1=CC2=CN(C(=O)N=C2N1)COCCO
InChI
InChI=1S/C19H31N3O3/c1-2-3-4-5-6-7-8-9-10-17-13-16-14-22(15-25-12-11-23)19(24)21-18(16)20-17/h13-14,23H,2-12,15H2,1H3,(H,20,21,24)
InChIKey
CMRUGLMFMCWEHD-UHFFFAOYSA-N
Compound name
6-decyl-3-(2-hydroxyethoxymethyl)-7H-pyrrolo[2,3-d]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

349.23654 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.24382 186.9
[M+Na]+ 372.22576 194.0
[M-H]- 348.22926 184.2
[M+NH4]+ 367.27036 198.0
[M+K]+ 388.19970 187.8
[M+H-H2O]+ 332.23380 177.7
[M+HCOO]- 394.23474 203.8
[M+CH3COO]- 408.25039 210.2
[M+Na-2H]- 370.21121 188.2
[M]+ 349.23599 193.7
[M]- 349.23709 193.7
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.