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]+ 305.160806 173.3
[M+Na]+ 327.142748 180.3
[M-H]- 303.146254 175.0
[M+NH4]+ 322.187353 185.4
[M+K]+ 343.116688 176.7
[M+H-H2O]+ 287.150790 163.2
[M+HCOO]- 349.151731 186.5
[M+CH3COO]- 363.167381 204.5
[M+Na-2H]- 325.128196 172.8
[M]+ 304.15298142 172.2
[M]- 304.15407858 172.2
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.