CID 199252

Pyrimidine, 2-(4-(2,3,4-trimethoxybenzyl)-1-piperazinyl)-

Structural Information

Molecular Formula
C18H24N4O3
SMILES
COC1=C(C(=C(C=C1)CN2CCN(CC2)C3=NC=CC=N3)OC)OC
InChI
InChI=1S/C18H24N4O3/c1-23-15-6-5-14(16(24-2)17(15)25-3)13-21-9-11-22(12-10-21)18-19-7-4-8-20-18/h4-8H,9-13H2,1-3H3
InChIKey
VEYRDEOFDMHLFK-UHFFFAOYSA-N
Compound name
2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.18484 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.19212 184.7
[M+Na]+ 367.17406 199.1
[M+NH4]+ 362.21866 190.5
[M+K]+ 383.14800 191.9
[M-H]- 343.17756 188.3
[M+Na-2H]- 365.15951 192.5
[M]+ 344.18429 187.7
[M]- 344.18539 187.7
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.

Patent stripe

No patent data available for this compound.