CID 3054447

2-propanol, 1-((2-(o-chloroanilino)ethyl)amino)-3-phenoxy-, monohydrochloride

Structural Information

Molecular Formula
C17H21ClN2O2
SMILES
C1=CC=C(C=C1)OCC(CNCCNC2=CC=CC=C2Cl)O
InChI
InChI=1S/C17H21ClN2O2/c18-16-8-4-5-9-17(16)20-11-10-19-12-14(21)13-22-15-6-2-1-3-7-15/h1-9,14,19-21H,10-13H2
InChIKey
ASNYJNMBHPEIFR-UHFFFAOYSA-N
Compound name
1-[2-(2-chloroanilino)ethylamino]-3-phenoxypropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

320.12915 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.13643 173.6
[M+Na]+ 343.11837 178.0
[M-H]- 319.12187 178.0
[M+NH4]+ 338.16297 187.0
[M+K]+ 359.09231 172.3
[M+H-H2O]+ 303.12641 165.9
[M+HCOO]- 365.12735 192.4
[M+CH3COO]- 379.14300 208.2
[M+Na-2H]- 341.10382 178.1
[M]+ 320.12860 175.4
[M]- 320.12970 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

patents stripe