CID 3066141

Triethylamine, 2-(3,5-dibromo-2-pentyloxybenzyloxy)-

Structural Information

Molecular Formula
C18H29Br2NO2
SMILES
CCCCCOC1=C(C=C(C=C1Br)Br)COCCN(CC)CC
InChI
InChI=1S/C18H29Br2NO2/c1-4-7-8-10-23-18-15(12-16(19)13-17(18)20)14-22-11-9-21(5-2)6-3/h12-13H,4-11,14H2,1-3H3
InChIKey
LQXINFJRTAAUGV-UHFFFAOYSA-N
Compound name
2-[(3,5-dibromo-2-pentoxyphenyl)methoxy]-N,N-diethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

449.0565 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.06378 182.6
[M+Na]+ 472.04572 190.2
[M-H]- 448.04922 189.0
[M+NH4]+ 467.09032 197.3
[M+K]+ 488.01966 174.2
[M+H-H2O]+ 432.05376 187.5
[M+HCOO]- 494.05470 197.7
[M+CH3COO]- 508.07035 232.0
[M+Na-2H]- 470.03117 184.4
[M]+ 449.05595 221.7
[M]- 449.05705 221.7
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.