CID 3078659

122113-20-6

Structural Information

Molecular Formula
C18H20N4O
SMILES
CN1C(=O)CC2=CN=C(N=C21)N3CCC(CC3)C4=CC=CC=C4
InChI
InChI=1S/C18H20N4O/c1-21-16(23)11-15-12-19-18(20-17(15)21)22-9-7-14(8-10-22)13-5-3-2-4-6-13/h2-6,12,14H,7-11H2,1H3
InChIKey
VHKFBKZMZOFORH-UHFFFAOYSA-N
Compound name
7-methyl-2-(4-phenylpiperidin-1-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.1637 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.17098 176.3
[M+Na]+ 331.15292 183.5
[M-H]- 307.15642 180.9
[M+NH4]+ 326.19752 187.7
[M+K]+ 347.12686 177.1
[M+H-H2O]+ 291.16096 164.4
[M+HCOO]- 353.16190 190.1
[M+CH3COO]- 367.17755 185.3
[M+Na-2H]- 329.13837 177.0
[M]+ 308.16315 172.0
[M]- 308.16425 172.0
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.