CID 215184

35133-58-5

Structural Information

Molecular Formula
C22H35NO2
SMILES
CC(C(C1=CC=C(C=C1)OC)O)N2CCC(CC2)CC3CCCCC3
InChI
InChI=1S/C22H35NO2/c1-17(22(24)20-8-10-21(25-2)11-9-20)23-14-12-19(13-15-23)16-18-6-4-3-5-7-18/h8-11,17-19,22,24H,3-7,12-16H2,1-2H3
InChIKey
PMFSILGONBPGOX-UHFFFAOYSA-N
Compound name
2-[4-(cyclohexylmethyl)piperidin-1-yl]-1-(4-methoxyphenyl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.26678 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.274056 188.7
[M+Na]+ 368.255998 187.4
[M-H]- 344.259504 192.6
[M+NH4]+ 363.300603 198.5
[M+K]+ 384.229938 183.4
[M+H-H2O]+ 328.264040 178.5
[M+HCOO]- 390.264981 198.4
[M+CH3COO]- 404.280631 212.2
[M+Na-2H]- 366.241446 184.6
[M]+ 345.26623142 180.1
[M]- 345.26732858 180.1
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

No patent data available for this compound.