CID 39250

Benzyl alcohol, 2,4-dichloro-alpha-(4-(2-(diethylamino)ethoxy)phenyl)-, hydrochloride

Structural Information

Molecular Formula
C19H23Cl2NO2
SMILES
CCN(CC)CCOC1=CC=C(C=C1)C(C2=C(C=C(C=C2)Cl)Cl)O
InChI
InChI=1S/C19H23Cl2NO2/c1-3-22(4-2)11-12-24-16-8-5-14(6-9-16)19(23)17-10-7-15(20)13-18(17)21/h5-10,13,19,23H,3-4,11-12H2,1-2H3
InChIKey
BDBCBQQTKQCCEP-UHFFFAOYSA-N
Compound name
(2,4-dichlorophenyl)-[4-[2-(diethylamino)ethoxy]phenyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.1106 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.11788 184.9
[M+Na]+ 390.09982 191.8
[M-H]- 366.10332 190.5
[M+NH4]+ 385.14442 198.6
[M+K]+ 406.07376 185.7
[M+H-H2O]+ 350.10786 178.1
[M+HCOO]- 412.10880 197.5
[M+CH3COO]- 426.12445 218.7
[M+Na-2H]- 388.08527 184.9
[M]+ 367.11005 191.5
[M]- 367.11115 191.5
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.