CID 3059146

2-(n-(1-(5-chloro-2-methoxybenzyl)-4-piperidyl)methylamino)pyrimidine dihydrochloride

Structural Information

Molecular Formula
C18H23ClN4O
SMILES
CN(C1CCN(CC1)CC2=C(C=CC(=C2)Cl)OC)C3=NC=CC=N3
InChI
InChI=1S/C18H23ClN4O/c1-22(18-20-8-3-9-21-18)16-6-10-23(11-7-16)13-14-12-15(19)4-5-17(14)24-2/h3-5,8-9,12,16H,6-7,10-11,13H2,1-2H3
InChIKey
BDMQPSAJCZAYDH-UHFFFAOYSA-N
Compound name
N-[1-[(5-chloro-2-methoxyphenyl)methyl]piperidin-4-yl]-N-methylpyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.15604 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.16332 182.8
[M+Na]+ 369.14526 188.4
[M-H]- 345.14876 188.4
[M+NH4]+ 364.18986 192.4
[M+K]+ 385.11920 183.0
[M+H-H2O]+ 329.15330 170.7
[M+HCOO]- 391.15424 195.5
[M+CH3COO]- 405.16989 191.5
[M+Na-2H]- 367.13071 185.2
[M]+ 346.15549 182.9
[M]- 346.15659 182.9
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.