CID 217241

38338-97-5

Structural Information

Molecular Formula
C14H22BrClN2O
SMILES
CCCN(CCC)CC(C1=CC(=C(C(=C1)Br)N)Cl)O
InChI
InChI=1S/C14H22BrClN2O/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
ZRKAGCLAOKDOFF-UHFFFAOYSA-N
Compound name
1-(4-amino-3-bromo-5-chlorophenyl)-2-(dipropylamino)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.0604 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.06768 175.2
[M+Na]+ 371.04962 184.7
[M-H]- 347.05312 180.4
[M+NH4]+ 366.09422 192.6
[M+K]+ 387.02356 170.9
[M+H-H2O]+ 331.05766 173.9
[M+HCOO]- 393.05860 190.5
[M+CH3COO]- 407.07425 214.8
[M+Na-2H]- 369.03507 176.0
[M]+ 348.05985 195.7
[M]- 348.06095 195.7
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.