CID 3047724

61380-02-7

Structural Information

Molecular Formula
C20H26N2O
SMILES
COCC1(CCN(CC1)CC2=CC=CC=C2)NC3=CC=CC=C3
InChI
InChI=1S/C20H26N2O/c1-23-17-20(21-19-10-6-3-7-11-19)12-14-22(15-13-20)16-18-8-4-2-5-9-18/h2-11,21H,12-17H2,1H3
InChIKey
QBUUEBUUMUYSIY-UHFFFAOYSA-N
Compound name
1-benzyl-4-(methoxymethyl)-N-phenylpiperidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

310.2045 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.211776 176.1
[M+Na]+ 333.193718 179.3
[M-H]- 309.197224 182.8
[M+NH4]+ 328.238323 190.0
[M+K]+ 349.167658 174.4
[M+H-H2O]+ 293.201760 165.5
[M+HCOO]- 355.202701 195.4
[M+CH3COO]- 369.218351 185.3
[M+Na-2H]- 331.179166 181.1
[M]+ 310.20395142 172.0
[M]- 310.20504858 172.0
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