CID 53639498

78982-88-4

Structural Information

Molecular Formula
C14H22Cl2N2O
SMILES
CCCCCCNCC(C1=CC(=C(C(=C1)Cl)N)Cl)O
InChI
InChI=1S/C14H22Cl2N2O/c1-2-3-4-5-6-18-9-13(19)10-7-11(15)14(17)12(16)8-10/h7-8,13,18-19H,2-6,9,17H2,1H3
InChIKey
OIJJTCCRNKYZHW-UHFFFAOYSA-N
Compound name
1-(4-amino-3,5-dichlorophenyl)-2-(hexylamino)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.11093 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.11821 171.5
[M+Na]+ 327.10015 178.3
[M-H]- 303.10365 172.3
[M+NH4]+ 322.14475 187.0
[M+K]+ 343.07409 171.5
[M+H-H2O]+ 287.10819 166.8
[M+HCOO]- 349.10913 184.0
[M+CH3COO]- 363.12478 207.5
[M+Na-2H]- 325.08560 171.3
[M]+ 304.11038 174.0
[M]- 304.11148 174.0
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.