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 173.3
[M+Na]+ 327.14275 180.3
[M-H]- 303.14625 175.0
[M+NH4]+ 322.18735 185.4
[M+K]+ 343.11669 176.7
[M+H-H2O]+ 287.15079 163.2
[M+HCOO]- 349.15173 186.5
[M+CH3COO]- 363.16738 204.5
[M+Na-2H]- 325.12820 172.8
[M]+ 304.15298 172.2
[M]- 304.15408 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.