CID 33933

N-(2-picolyl)-n-(4-methoxyphenyl)-n-(2-piperidinoethyl)amine hydrochloride

Structural Information

Molecular Formula
C20H27N3O
SMILES
COC1=CC=C(C=C1)N(CCN2CCCCC2)CC3=CC=CC=N3
InChI
InChI=1S/C20H27N3O/c1-24-20-10-8-19(9-11-20)23(17-18-7-3-4-12-21-18)16-15-22-13-5-2-6-14-22/h3-4,7-12H,2,5-6,13-17H2,1H3
InChIKey
NOKCMSYGBLCGGZ-UHFFFAOYSA-N
Compound name
4-methoxy-N-(2-piperidin-1-ylethyl)-N-(pyridin-2-ylmethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

325.21542 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.222696 179.9
[M+Na]+ 348.204638 182.0
[M-H]- 324.208144 186.1
[M+NH4]+ 343.249243 190.3
[M+K]+ 364.178578 177.9
[M+H-H2O]+ 308.212680 167.7
[M+HCOO]- 370.213621 198.1
[M+CH3COO]- 384.229271 213.5
[M+Na-2H]- 346.190086 183.3
[M]+ 325.21487142 177.1
[M]- 325.21596858 177.1
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

patents stripe