CID 198993

2-(2-methyl-4-piperonyl-1-piperazinyl)pyrimidine dihydrochloride

Structural Information

Molecular Formula
C17H20N4O2
SMILES
CC1CN(CCN1C2=NC=CC=N2)CC3=CC4=C(C=C3)OCO4
InChI
InChI=1S/C17H20N4O2/c1-13-10-20(7-8-21(13)17-18-5-2-6-19-17)11-14-3-4-15-16(9-14)23-12-22-15/h2-6,9,13H,7-8,10-12H2,1H3
InChIKey
VVJCYXNQPWWYSG-UHFFFAOYSA-N
Compound name
2-[4-(1,3-benzodioxol-5-ylmethyl)-2-methylpiperazin-1-yl]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

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References

0
Patents

312.15863 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.16591 174.8
[M+Na]+ 335.14785 189.5
[M+NH4]+ 330.19245 182.1
[M+K]+ 351.12179 184.5
[M-H]- 311.15135 181.5
[M+Na-2H]- 333.13330 181.0
[M]+ 312.15808 178.8
[M]- 312.15918 178.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.