CID 217236

38338-90-8

Structural Information

Molecular Formula
C14H22Cl2N2O
SMILES
CCCN(CCC)CC(C1=CC(=C(C(=C1)Cl)N)Cl)O
InChI
InChI=1S/C14H22Cl2N2O/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
KZGVQUMWTANJCB-UHFFFAOYSA-N
Compound name
1-(4-amino-3,5-dichlorophenyl)-2-(dipropylamino)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 171.7
[M+Na]+ 327.10015 178.6
[M-H]- 303.10365 174.0
[M+NH4]+ 322.14475 187.8
[M+K]+ 343.07409 173.1
[M+H-H2O]+ 287.10819 166.8
[M+HCOO]- 349.10913 184.7
[M+CH3COO]- 363.12478 210.8
[M+Na-2H]- 325.08560 170.8
[M]+ 304.11038 175.4
[M]- 304.11148 175.4
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.