CID 3059135

2-pyrimidinamine, n-(1-((3-chlorophenyl)methyl)-4-piperidinyl)-

Structural Information

Molecular Formula
C16H19ClN4
SMILES
C1CN(CCC1NC2=NC=CC=N2)CC3=CC(=CC=C3)Cl
InChI
InChI=1S/C16H19ClN4/c17-14-4-1-3-13(11-14)12-21-9-5-15(6-10-21)20-16-18-7-2-8-19-16/h1-4,7-8,11,15H,5-6,9-10,12H2,(H,18,19,20)
InChIKey
LYPVCSIXXOIZHG-UHFFFAOYSA-N
Compound name
N-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]pyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.12982 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.13710 170.7
[M+Na]+ 325.11904 176.2
[M-H]- 301.12254 174.7
[M+NH4]+ 320.16364 181.2
[M+K]+ 341.09298 169.3
[M+H-H2O]+ 285.12708 159.1
[M+HCOO]- 347.12802 183.4
[M+CH3COO]- 361.14367 179.5
[M+Na-2H]- 323.10449 175.6
[M]+ 302.12927 167.0
[M]- 302.13037 167.0
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.