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]+ 329.197176 179.8
[M+Na]+ 351.179118 184.5
[M-H]- 327.182624 184.4
[M+NH4]+ 346.223723 188.6
[M+K]+ 367.153058 179.8
[M+H-H2O]+ 311.187160 167.6
[M+HCOO]- 373.188101 197.0
[M+CH3COO]- 387.203751 211.5
[M+Na-2H]- 349.164566 183.6
[M]+ 328.18935142 177.9
[M]- 328.19044858 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.