CID 45400

2-(phenyl-(p-tolyl)methoxy)-n-pyrrolidinylethylamine hydrochloride

Structural Information

Molecular Formula
C20H26N2O
SMILES
CC1=CC=C(C=C1)C(C2=CC=CC=C2)OCCNN3CCCC3
InChI
InChI=1S/C20H26N2O/c1-17-9-11-19(12-10-17)20(18-7-3-2-4-8-18)23-16-13-21-22-14-5-6-15-22/h2-4,7-12,20-21H,5-6,13-16H2,1H3
InChIKey
WBLCQBKNJGWLNO-UHFFFAOYSA-N
Compound name
N-[2-[(4-methylphenyl)-phenylmethoxy]ethyl]pyrrolidin-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.2045 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.21178 178.3
[M+Na]+ 333.19372 190.2
[M+NH4]+ 328.23832 186.7
[M+K]+ 349.16766 183.4
[M-H]- 309.19722 184.5
[M+Na-2H]- 331.17917 187.1
[M]+ 310.20395 181.7
[M]- 310.20505 181.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.