CID 198990

Pyrimidine, 4,5-dimethyl-2-(4-piperonyl-1-piperazinyl)-, monohydrochloride

Structural Information

Molecular Formula
C18H22N4O2
SMILES
CC1=CN=C(N=C1C)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4
InChI
InChI=1S/C18H22N4O2/c1-13-10-19-18(20-14(13)2)22-7-5-21(6-8-22)11-15-3-4-16-17(9-15)24-12-23-16/h3-4,9-10H,5-8,11-12H2,1-2H3
InChIKey
XYDWHIWKCZAFOJ-UHFFFAOYSA-N
Compound name
2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4,5-dimethylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.1743 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.18158 179.6
[M+Na]+ 349.16352 194.5
[M+NH4]+ 344.20812 186.8
[M+K]+ 365.13746 189.5
[M-H]- 325.16702 186.4
[M+Na-2H]- 347.14897 185.3
[M]+ 326.17375 183.7
[M]- 326.17485 183.7
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.

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No patent data available for this compound.