CID 6482295

Chembl187777

Structural Information

Molecular Formula
C20H33N3O3
SMILES
CCCCCCCCCCCC1=CC2=CN(C(=O)N=C2N1)COCCO
InChI
InChI=1S/C20H33N3O3/c1-2-3-4-5-6-7-8-9-10-11-18-14-17-15-23(16-26-13-12-24)20(25)22-19(17)21-18/h14-15,24H,2-13,16H2,1H3,(H,21,22,25)
InChIKey
XKAIMWJGDQTWCX-UHFFFAOYSA-N
Compound name
3-(2-hydroxyethoxymethyl)-6-undecyl-7H-pyrrolo[2,3-d]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

363.2522 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.25948 191.3
[M+Na]+ 386.24142 197.9
[M-H]- 362.24492 188.3
[M+NH4]+ 381.28602 201.8
[M+K]+ 402.21536 191.5
[M+H-H2O]+ 346.24946 181.9
[M+HCOO]- 408.25040 207.8
[M+CH3COO]- 422.26605 213.1
[M+Na-2H]- 384.22687 192.1
[M]+ 363.25165 198.4
[M]- 363.25275 198.4
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.