CID 3059142

Pyrimidine, 2-((1-veratryl-4-piperidyl)amino)-

Structural Information

Molecular Formula
C18H24N4O2
SMILES
COC1=C(C=C(C=C1)CN2CCC(CC2)NC3=NC=CC=N3)OC
InChI
InChI=1S/C18H24N4O2/c1-23-16-5-4-14(12-17(16)24-2)13-22-10-6-15(7-11-22)21-18-19-8-3-9-20-18/h3-5,8-9,12,15H,6-7,10-11,13H2,1-2H3,(H,19,20,21)
InChIKey
HSSVFSHMORAXKM-UHFFFAOYSA-N
Compound name
N-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-4-yl]pyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.1899 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.19718 179.8
[M+Na]+ 351.17912 184.5
[M-H]- 327.18262 184.4
[M+NH4]+ 346.22372 188.6
[M+K]+ 367.15306 179.8
[M+H-H2O]+ 311.18716 167.6
[M+HCOO]- 373.18810 197.0
[M+CH3COO]- 387.20375 211.5
[M+Na-2H]- 349.16457 183.6
[M]+ 328.18935 177.9
[M]- 328.19045 177.9
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.