CID 45329

2-(p-bromodiphenylmethoxy)-n-pyrrolidinylethylamine hydrochloride

Structural Information

Molecular Formula
C19H23BrN2O
SMILES
C1CCN(C1)NCCOC(C2=CC=CC=C2)C3=CC=C(C=C3)Br
InChI
InChI=1S/C19H23BrN2O/c20-18-10-8-17(9-11-18)19(16-6-2-1-3-7-16)23-15-12-21-22-13-4-5-14-22/h1-3,6-11,19,21H,4-5,12-15H2
InChIKey
TTZPZVXTDUFEIT-UHFFFAOYSA-N
Compound name
N-[2-[(4-bromophenyl)-phenylmethoxy]ethyl]pyrrolidin-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.09937 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.10665 184.4
[M+Na]+ 397.08859 190.4
[M-H]- 373.09209 193.7
[M+NH4]+ 392.13319 199.5
[M+K]+ 413.06253 178.3
[M+H-H2O]+ 357.09663 181.2
[M+HCOO]- 419.09757 202.8
[M+CH3COO]- 433.11322 195.2
[M+Na-2H]- 395.07404 186.7
[M]+ 374.09882 200.2
[M]- 374.09992 200.2
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

No patent data available for this compound.