CID 4416

Nafoxidine

Structural Information

Molecular Formula
C29H31NO2
SMILES
COC1=CC2=C(C=C1)C(=C(CC2)C3=CC=CC=C3)C4=CC=C(C=C4)OCCN5CCCC5
InChI
InChI=1S/C29H31NO2/c1-31-26-14-16-28-24(21-26)11-15-27(22-7-3-2-4-8-22)29(28)23-9-12-25(13-10-23)32-20-19-30-17-5-6-18-30/h2-4,7-10,12-14,16,21H,5-6,11,15,17-20H2,1H3
InChIKey
JEYWNNAZDLFBFF-UHFFFAOYSA-N
Compound name
1-[2-[4-(6-methoxy-2-phenyl-3,4-dihydronaphthalen-1-yl)phenoxy]ethyl]pyrrolidine
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

259
References

6584
Patents

425.23547 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.242746 207.6
[M+Na]+ 448.224688 211.4
[M-H]- 424.228194 218.3
[M+NH4]+ 443.269293 217.6
[M+K]+ 464.198628 204.2
[M+H-H2O]+ 408.232730 195.3
[M+HCOO]- 470.233671 224.2
[M+CH3COO]- 484.249321 215.2
[M+Na-2H]- 446.210136 205.8
[M]+ 425.23492142 205.8
[M]- 425.23601858 205.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe