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 175.6
[M+Na]+ 333.19372 178.3
[M-H]- 309.19722 182.6
[M+NH4]+ 328.23832 189.4
[M+K]+ 349.16766 173.7
[M+H-H2O]+ 293.20176 165.6
[M+HCOO]- 355.20270 196.1
[M+CH3COO]- 369.21835 207.8
[M+Na-2H]- 331.17917 176.8
[M]+ 310.20395 173.0
[M]- 310.20505 173.0
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.