CID 3078675

122113-28-4

Structural Information

Molecular Formula
C13H19N5O
SMILES
CCN1CCN(CC1)C2=NC=C3CC(=O)N(C3=N2)C
InChI
InChI=1S/C13H19N5O/c1-3-17-4-6-18(7-5-17)13-14-9-10-8-11(19)16(2)12(10)15-13/h9H,3-8H2,1-2H3
InChIKey
GFRLOVGUUZAEPB-UHFFFAOYSA-N
Compound name
2-(4-ethylpiperazin-1-yl)-7-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

261.15897 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.166246 165.8
[M+Na]+ 284.148188 174.1
[M-H]- 260.151694 166.3
[M+NH4]+ 279.192793 178.5
[M+K]+ 300.122128 169.4
[M+H-H2O]+ 244.156230 155.0
[M+HCOO]- 306.157171 178.7
[M+CH3COO]- 320.172821 175.3
[M+Na-2H]- 282.133636 166.8
[M]+ 261.15842142 163.1
[M]- 261.15951858 163.1
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

patents stripe