CID 3078667

122113-24-0

Structural Information

Molecular Formula
C17H25N5O
SMILES
CN1C(=O)CC2=CN=C(N=C21)N3CCC(CC3)N4CCCCC4
InChI
InChI=1S/C17H25N5O/c1-20-15(23)11-13-12-18-17(19-16(13)20)22-9-5-14(6-10-22)21-7-3-2-4-8-21/h12,14H,2-11H2,1H3
InChIKey
BSQIJYAFXZDYBP-UHFFFAOYSA-N
Compound name
7-methyl-2-(4-piperidin-1-ylpiperidin-1-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.2059 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.21318 181.6
[M+Na]+ 338.19512 186.1
[M-H]- 314.19862 183.7
[M+NH4]+ 333.23972 191.1
[M+K]+ 354.16906 180.4
[M+H-H2O]+ 298.20316 168.7
[M+HCOO]- 360.20410 190.0
[M+CH3COO]- 374.21975 188.4
[M+Na-2H]- 336.18057 179.4
[M]+ 315.20535 173.2
[M]- 315.20645 173.2
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.