CID 218447

2-(2-(2-(4-methoxyphenyl)cyclopropyl)phenoxy)-n,n-dimethylethanamine

Structural Information

Molecular Formula
C20H25NO2
SMILES
CN(C)CCOC1=CC=CC=C1C2CC2C3=CC=C(C=C3)OC
InChI
InChI=1S/C20H25NO2/c1-21(2)12-13-23-20-7-5-4-6-17(20)19-14-18(19)15-8-10-16(22-3)11-9-15/h4-11,18-19H,12-14H2,1-3H3
InChIKey
VQHQAHNSRLWOKX-UHFFFAOYSA-N
Compound name
2-[2-[2-(4-methoxyphenyl)cyclopropyl]phenoxy]-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.18854 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.19582 171.6
[M+Na]+ 334.17776 179.2
[M-H]- 310.18126 182.9
[M+NH4]+ 329.22236 182.1
[M+K]+ 350.15170 175.9
[M+H-H2O]+ 294.18580 162.7
[M+HCOO]- 356.18674 196.4
[M+CH3COO]- 370.20239 216.0
[M+Na-2H]- 332.16321 174.6
[M]+ 311.18799 178.1
[M]- 311.18909 178.1
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.