CID 15388798

180915-94-0

Structural Information

Molecular Formula
C23H27NO2
SMILES
COC1=CC2=C(C=C1)C(=CCC2)C3=CC=C(C=C3)OCCN4CCCC4
InChI
InChI=1S/C23H27NO2/c1-25-21-11-12-23-19(17-21)5-4-6-22(23)18-7-9-20(10-8-18)26-16-15-24-13-2-3-14-24/h6-12,17H,2-5,13-16H2,1H3
InChIKey
LNXCMAIFYNBIAO-UHFFFAOYSA-N
Compound name
1-[2-[4-(6-methoxy-3,4-dihydronaphthalen-1-yl)phenoxy]ethyl]pyrrolidine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

114
Patents

349.2042 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.211476 186.3
[M+Na]+ 372.193418 190.9
[M-H]- 348.196924 194.3
[M+NH4]+ 367.238023 200.1
[M+K]+ 388.167358 185.3
[M+H-H2O]+ 332.201460 176.0
[M+HCOO]- 394.202401 204.1
[M+CH3COO]- 408.218051 195.6
[M+Na-2H]- 370.178866 186.6
[M]+ 349.20365142 185.2
[M]- 349.20474858 185.2
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

patents stripe