CID 13337414

88770-76-7

Structural Information

Molecular Formula
C28H35NO5
SMILES
COC1=C(C(=C(C2=CC=CC=C21)OC)OCCN3CCCCC3)C(CCC4=CC=C(C=C4)O)O
InChI
InChI=1S/C28H35NO5/c1-32-26-22-8-4-5-9-23(22)27(33-2)28(34-19-18-29-16-6-3-7-17-29)25(26)24(31)15-12-20-10-13-21(30)14-11-20/h4-5,8-11,13-14,24,30-31H,3,6-7,12,15-19H2,1-2H3
InChIKey
YPNZJOGJXCELIR-UHFFFAOYSA-N
Compound name
4-[3-[1,4-dimethoxy-3-(2-piperidin-1-ylethoxy)naphthalen-2-yl]-3-hydroxypropyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

465.25153 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 466.25881 215.8
[M+Na]+ 488.24075 217.8
[M-H]- 464.24425 220.5
[M+NH4]+ 483.28535 221.3
[M+K]+ 504.21469 212.9
[M+H-H2O]+ 448.24879 204.0
[M+HCOO]- 510.24973 227.1
[M+CH3COO]- 524.26538 233.4
[M+Na-2H]- 486.22620 213.6
[M]+ 465.25098 216.2
[M]- 465.25208 216.2
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.