CID 3078657

122113-19-3

Structural Information

Molecular Formula
C16H24N4O
SMILES
CC(C)(C)C1CCN(CC1)C2=NC=C3CC(=O)N(C3=N2)C
InChI
InChI=1S/C16H24N4O/c1-16(2,3)12-5-7-20(8-6-12)15-17-10-11-9-13(21)19(4)14(11)18-15/h10,12H,5-9H2,1-4H3
InChIKey
BPPWZMHOKASTRS-UHFFFAOYSA-N
Compound name
2-(4-tert-butylpiperidin-1-yl)-7-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.195 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.20228 175.2
[M+Na]+ 311.18422 182.6
[M-H]- 287.18772 177.0
[M+NH4]+ 306.22882 188.5
[M+K]+ 327.15816 178.1
[M+H-H2O]+ 271.19226 165.7
[M+HCOO]- 333.19320 186.9
[M+CH3COO]- 347.20885 203.5
[M+Na-2H]- 309.16967 175.8
[M]+ 288.19445 172.5
[M]- 288.19555 172.5
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.