CID 3039270

Methanol, (2,4-dichlorophenyl)(p-2-morpholinoethoxy)-, hydrochloride

Structural Information

Molecular Formula
C19H21Cl2NO3
SMILES
C1COCCN1CCOC2=CC=C(C=C2)C(C3=C(C=C(C=C3)Cl)Cl)O
InChI
InChI=1S/C19H21Cl2NO3/c20-15-3-6-17(18(21)13-15)19(23)14-1-4-16(5-2-14)25-12-9-22-7-10-24-11-8-22/h1-6,13,19,23H,7-12H2
InChIKey
LJRFOTSQJALCEP-UHFFFAOYSA-N
Compound name
(2,4-dichlorophenyl)-[4-(2-morpholin-4-ylethoxy)phenyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.08984 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.09712 186.4
[M+Na]+ 404.07906 192.0
[M-H]- 380.08256 192.2
[M+NH4]+ 399.12366 195.6
[M+K]+ 420.05300 186.7
[M+H-H2O]+ 364.08710 177.5
[M+HCOO]- 426.08804 192.3
[M+CH3COO]- 440.10369 194.7
[M+Na-2H]- 402.06451 187.0
[M]+ 381.08929 188.1
[M]- 381.09039 188.1
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.