CID 217232

38338-86-2

Structural Information

Molecular Formula
C14H22Br2N2O
SMILES
CCCN(CCC)CC(C1=CC(=C(C(=C1)Br)N)Br)O
InChI
InChI=1S/C14H22Br2N2O/c1-3-5-18(6-4-2)9-13(19)10-7-11(15)14(17)12(16)8-10/h7-8,13,19H,3-6,9,17H2,1-2H3
InChIKey
HTBGSVLIHODMKK-UHFFFAOYSA-N
Compound name
1-(4-amino-3,5-dibromophenyl)-2-(dipropylamino)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.0099 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.01718 171.6
[M+Na]+ 414.99912 179.0
[M-H]- 391.00262 176.8
[M+NH4]+ 410.04372 186.7
[M+K]+ 430.97306 162.0
[M+H-H2O]+ 375.00716 176.1
[M+HCOO]- 437.00810 185.6
[M+CH3COO]- 451.02375 223.6
[M+Na-2H]- 412.98457 172.7
[M]+ 392.00935 204.8
[M]- 392.01045 204.8
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.