CID 120820

Ys 3635

Structural Information

Molecular Formula
C23H31NO3
SMILES
CC(CC(C1=CC=CC=C1)(C2=C(C=CC(=C2)OC)OC)O)N3CCCCC3
InChI
InChI=1S/C23H31NO3/c1-18(24-14-8-5-9-15-24)17-23(25,19-10-6-4-7-11-19)21-16-20(26-2)12-13-22(21)27-3/h4,6-7,10-13,16,18,25H,5,8-9,14-15,17H2,1-3H3
InChIKey
JPHDBGRDGGXWHL-UHFFFAOYSA-N
Compound name
1-(2,5-dimethoxyphenyl)-1-phenyl-3-piperidin-1-ylbutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.2304 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.23768 192.1
[M+Na]+ 392.21962 194.0
[M-H]- 368.22312 197.4
[M+NH4]+ 387.26422 201.3
[M+K]+ 408.19356 189.9
[M+H-H2O]+ 352.22766 181.9
[M+HCOO]- 414.22860 205.4
[M+CH3COO]- 428.24425 215.6
[M+Na-2H]- 390.20507 192.7
[M]+ 369.22985 189.7
[M]- 369.23095 189.7
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.