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]+ 323.18663 180.6
[M+Na]+ 345.16857 187.3
[M-H]- 321.17207 185.1
[M+NH4]+ 340.21317 191.5
[M+K]+ 361.14251 180.7
[M+H-H2O]+ 305.17661 168.5
[M+HCOO]- 367.17755 194.1
[M+CH3COO]- 381.19320 189.2
[M+Na-2H]- 343.15402 180.8
[M]+ 322.17880 176.6
[M]- 322.17990 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.