CID 24847281

Jfa 32

Structural Information

Molecular Formula
C20H26BrNO2
SMILES
CC1=CC=CC=C1OCCN(CCOC2=CC=CC=C2C)CCBr
InChI
InChI=1S/C20H26BrNO2/c1-17-7-3-5-9-19(17)23-15-13-22(12-11-21)14-16-24-20-10-6-4-8-18(20)2/h3-10H,11-16H2,1-2H3
InChIKey
KYKQUVOPEXMLOK-UHFFFAOYSA-N
Compound name
N-(2-bromoethyl)-2-(2-methylphenoxy)-N-[2-(2-methylphenoxy)ethyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.1147 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.12198 188.5
[M+Na]+ 414.10392 196.1
[M-H]- 390.10742 197.7
[M+NH4]+ 409.14852 203.9
[M+K]+ 430.07786 184.7
[M+H-H2O]+ 374.11196 185.2
[M+HCOO]- 436.11290 209.9
[M+CH3COO]- 450.12855 222.1
[M+Na-2H]- 412.08937 192.0
[M]+ 391.11415 211.8
[M]- 391.11525 211.8
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.