CID 3078679

122113-30-8

Structural Information

Molecular Formula
C15H23N5O
SMILES
CCCCN1CCN(CC1)C2=NC=C3CC(=O)N(C3=N2)C
InChI
InChI=1S/C15H23N5O/c1-3-4-5-19-6-8-20(9-7-19)15-16-11-12-10-13(21)18(2)14(12)17-15/h11H,3-10H2,1-2H3
InChIKey
SNVJOYRRBGIRNK-UHFFFAOYSA-N
Compound name
2-(4-butylpiperazin-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

289.19025 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.19753 174.4
[M+Na]+ 312.17947 181.7
[M-H]- 288.18297 174.5
[M+NH4]+ 307.22407 186.0
[M+K]+ 328.15341 176.7
[M+H-H2O]+ 272.18751 163.2
[M+HCOO]- 334.18845 186.7
[M+CH3COO]- 348.20410 183.0
[M+Na-2H]- 310.16492 174.4
[M]+ 289.18970 172.3
[M]- 289.19080 172.3
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.