CID 3039646

50910-22-0

Structural Information

Molecular Formula
C22H29NO3
SMILES
COC1=CC=CC(=C1)C2=CC(=C(C=C2)C(CCN3CCCCC3)O)OC
InChI
InChI=1S/C22H29NO3/c1-25-19-8-6-7-17(15-19)18-9-10-20(22(16-18)26-2)21(24)11-14-23-12-4-3-5-13-23/h6-10,15-16,21,24H,3-5,11-14H2,1-2H3
InChIKey
VNBWEHKOQIIWPB-UHFFFAOYSA-N
Compound name
1-[2-methoxy-4-(3-methoxyphenyl)phenyl]-3-piperidin-1-ylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.21475 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.22203 188.2
[M+Na]+ 378.20397 191.1
[M-H]- 354.20747 193.7
[M+NH4]+ 373.24857 198.2
[M+K]+ 394.17791 186.7
[M+H-H2O]+ 338.21201 177.7
[M+HCOO]- 400.21295 203.4
[M+CH3COO]- 414.22860 213.4
[M+Na-2H]- 376.18942 187.6
[M]+ 355.21420 186.3
[M]- 355.21530 186.3
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.