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]+ 309.170976 176.3
[M+Na]+ 331.152918 183.5
[M-H]- 307.156424 180.9
[M+NH4]+ 326.197523 187.7
[M+K]+ 347.126858 177.1
[M+H-H2O]+ 291.160960 164.4
[M+HCOO]- 353.161901 190.1
[M+CH3COO]- 367.177551 185.3
[M+Na-2H]- 329.138366 177.0
[M]+ 308.16315142 172.0
[M]- 308.16424858 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.