CID 24798721

(3r,4s)-1-(3,4-dimethoxyphenyl)-3-(3-methylphenyl)piperidin-4-amine

Structural Information

Molecular Formula
C20H26N2O2
SMILES
CC1=CC(=CC=C1)[C@@H]2CN(CC[C@@H]2N)C3=CC(=C(C=C3)OC)OC
InChI
InChI=1S/C20H26N2O2/c1-14-5-4-6-15(11-14)17-13-22(10-9-18(17)21)16-7-8-19(23-2)20(12-16)24-3/h4-8,11-12,17-18H,9-10,13,21H2,1-3H3/t17-,18-/m0/s1
InChIKey
DQJXBZGPJVSWFI-ROUUACIJSA-N
Compound name
(3R,4S)-1-(3,4-dimethoxyphenyl)-3-(3-methylphenyl)piperidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

326.19943 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.20671 181.0
[M+Na]+ 349.18865 186.8
[M-H]- 325.19215 188.6
[M+NH4]+ 344.23325 193.2
[M+K]+ 365.16259 182.2
[M+H-H2O]+ 309.19669 170.9
[M+HCOO]- 371.19763 199.7
[M+CH3COO]- 385.21328 213.9
[M+Na-2H]- 347.17410 181.1
[M]+ 326.19888 178.8
[M]- 326.19998 178.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe