CID 3078661

122113-21-7

Structural Information

Molecular Formula
C19H22N4O
SMILES
CN1C(=O)CC2=CN=C(N=C21)N3CCC(CC3)CC4=CC=CC=C4
InChI
InChI=1S/C19H22N4O/c1-22-17(24)12-16-13-20-19(21-18(16)22)23-9-7-15(8-10-23)11-14-5-3-2-4-6-14/h2-6,13,15H,7-12H2,1H3
InChIKey
DWZKYOOERXPFKP-UHFFFAOYSA-N
Compound name
2-(4-benzylpiperidin-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

322.17935 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.186626 180.6
[M+Na]+ 345.168568 187.3
[M-H]- 321.172074 185.1
[M+NH4]+ 340.213173 191.5
[M+K]+ 361.142508 180.7
[M+H-H2O]+ 305.176610 168.5
[M+HCOO]- 367.177551 194.1
[M+CH3COO]- 381.193201 189.2
[M+Na-2H]- 343.154016 180.8
[M]+ 322.17880142 176.6
[M]- 322.17989858 176.6
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.