CID 3078651

122113-15-9

Structural Information

Molecular Formula
C13H18N4O
SMILES
CC1CCCN(C1)C2=NC=C3CC(=O)N(C3=N2)C
InChI
InChI=1S/C13H18N4O/c1-9-4-3-5-17(8-9)13-14-7-10-6-11(18)16(2)12(10)15-13/h7,9H,3-6,8H2,1-2H3
InChIKey
NCMNHCLGECTETI-UHFFFAOYSA-N
Compound name
7-methyl-2-(3-methylpiperidin-1-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.14806 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.155336 160.3
[M+Na]+ 269.137278 168.6
[M-H]- 245.140784 162.2
[M+NH4]+ 264.181883 175.1
[M+K]+ 285.111218 164.3
[M+H-H2O]+ 229.145320 150.4
[M+HCOO]- 291.146261 174.7
[M+CH3COO]- 305.161911 170.8
[M+Na-2H]- 267.122726 161.6
[M]+ 246.14751142 157.1
[M]- 246.14860858 157.1
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.