CID 3078655

122113-18-2

Structural Information

Molecular Formula
C15H22N4O
SMILES
CC(C)C1CCN(CC1)C2=NC=C3CC(=O)N(C3=N2)C
InChI
InChI=1S/C15H22N4O/c1-10(2)11-4-6-19(7-5-11)15-16-9-12-8-13(20)18(3)14(12)17-15/h9-11H,4-8H2,1-3H3
InChIKey
MHUSMHUZSAZFBK-UHFFFAOYSA-N
Compound name
7-methyl-2-(4-propan-2-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

274.17935 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.18663 168.9
[M+Na]+ 297.16857 176.0
[M-H]- 273.17207 170.6
[M+NH4]+ 292.21317 182.5
[M+K]+ 313.14251 171.7
[M+H-H2O]+ 257.17661 158.9
[M+HCOO]- 319.17755 181.6
[M+CH3COO]- 333.19320 178.4
[M+Na-2H]- 295.15402 168.1
[M]+ 274.17880 165.8
[M]- 274.17990 165.8
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.