CID 3059181

1-((2-(2,6-dichloroanilino)ethyl)amino)-3-(m-tolyloxy)-2-propanol hydrochloride

Structural Information

Molecular Formula
C18H22Cl2N2O2
SMILES
CC1=CC(=CC=C1)OCC(CNCCNC2=C(C=CC=C2Cl)Cl)O
InChI
InChI=1S/C18H22Cl2N2O2/c1-13-4-2-5-15(10-13)24-12-14(23)11-21-8-9-22-18-16(19)6-3-7-17(18)20/h2-7,10,14,21-23H,8-9,11-12H2,1H3
InChIKey
SXLKASFAXXIDNJ-UHFFFAOYSA-N
Compound name
1-[2-(2,6-dichloroanilino)ethylamino]-3-(3-methylphenoxy)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

368.10583 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.11311 184.7
[M+Na]+ 391.09505 190.9
[M-H]- 367.09855 188.9
[M+NH4]+ 386.13965 197.3
[M+K]+ 407.06899 183.9
[M+H-H2O]+ 351.10309 178.0
[M+HCOO]- 413.10403 198.1
[M+CH3COO]- 427.11968 217.6
[M+Na-2H]- 389.08050 186.3
[M]+ 368.10528 189.0
[M]- 368.10638 189.0
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

patents stripe