CID 3078665

122113-23-9

Structural Information

Molecular Formula
C15H20N4O3
SMILES
CCOC(=O)C1CCN(CC1)C2=NC=C3CC(=O)N(C3=N2)C
InChI
InChI=1S/C15H20N4O3/c1-3-22-14(21)10-4-6-19(7-5-10)15-16-9-11-8-12(20)18(2)13(11)17-15/h9-10H,3-8H2,1-2H3
InChIKey
LMCUGKQYNLCRKL-UHFFFAOYSA-N
Compound name
ethyl 1-(7-methyl-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-2-yl)piperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.15353 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.16081 172.7
[M+Na]+ 327.14275 183.5
[M+NH4]+ 322.18735 178.1
[M+K]+ 343.11669 180.3
[M-H]- 303.14625 172.9
[M+Na-2H]- 325.12820 175.3
[M]+ 304.15298 173.9
[M]- 304.15408 173.9
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.