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

20
Patents

261.15897 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.16625 165.8
[M+Na]+ 284.14819 174.1
[M-H]- 260.15169 166.3
[M+NH4]+ 279.19279 178.5
[M+K]+ 300.12213 169.4
[M+H-H2O]+ 244.15623 155.0
[M+HCOO]- 306.15717 178.7
[M+CH3COO]- 320.17282 175.3
[M+Na-2H]- 282.13364 166.8
[M]+ 261.15842 163.1
[M]- 261.15952 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