CID 217231

38338-85-1

Structural Information

Molecular Formula
C12H18Br2N2O
SMILES
CCN(CC)CC(C1=CC(=C(C(=C1)Br)N)Br)O
InChI
InChI=1S/C12H18Br2N2O/c1-3-16(4-2)7-11(17)8-5-9(13)12(15)10(14)6-8/h5-6,11,17H,3-4,7,15H2,1-2H3
InChIKey
UZAMCIFUGGYDOL-UHFFFAOYSA-N
Compound name
1-(4-amino-3,5-dibromophenyl)-2-(diethylamino)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

363.97858 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.98586 163.5
[M+Na]+ 386.96780 171.6
[M-H]- 362.97130 169.1
[M+NH4]+ 382.01240 179.5
[M+K]+ 402.94174 155.0
[M+H-H2O]+ 346.97584 168.3
[M+HCOO]- 408.97678 178.1
[M+CH3COO]- 422.99243 219.1
[M+Na-2H]- 384.95325 165.5
[M]+ 363.97803 196.2
[M]- 363.97913 196.2
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

patents stripe