CID 58664680

233753-19-0

Structural Information

Molecular Formula
C18H30Br2N2O2
SMILES
CCN(CC)CCOC1=CC(=C(C=C1Br)OCCN(CC)CC)Br
InChI
InChI=1S/C18H30Br2N2O2/c1-5-21(6-2)9-11-23-17-13-16(20)18(14-15(17)19)24-12-10-22(7-3)8-4/h13-14H,5-12H2,1-4H3
InChIKey
RQPXRXPJIVYPFJ-UHFFFAOYSA-N
Compound name
2-[2,5-dibromo-4-[2-(diethylamino)ethoxy]phenoxy]-N,N-diethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

464.0674 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.07468 186.6
[M+Na]+ 487.05662 193.3
[M-H]- 463.06012 193.8
[M+NH4]+ 482.10122 200.8
[M+K]+ 503.03056 177.9
[M+H-H2O]+ 447.06466 190.2
[M+HCOO]- 509.06560 202.5
[M+CH3COO]- 523.08125 238.3
[M+Na-2H]- 485.04207 187.8
[M]+ 464.06685 225.7
[M]- 464.06795 225.7
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

patents stripe