CID 3025097

102169-23-3

Structural Information

Molecular Formula
C20H25ClN2O
SMILES
CC1=CC(=CC(=N1)C)C(CCN2CCOCC2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C20H25ClN2O/c1-15-13-18(14-16(2)22-15)20(17-3-5-19(21)6-4-17)7-8-23-9-11-24-12-10-23/h3-6,13-14,20H,7-12H2,1-2H3
InChIKey
LKFBMDJPYZUQAA-UHFFFAOYSA-N
Compound name
4-[3-(4-chlorophenyl)-3-(2,6-dimethyl-4-pyridinyl)propyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.16553 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.172806 185.0
[M+Na]+ 367.154748 190.4
[M-H]- 343.158254 191.1
[M+NH4]+ 362.199353 194.5
[M+K]+ 383.128688 185.0
[M+H-H2O]+ 327.162790 174.1
[M+HCOO]- 389.163731 195.0
[M+CH3COO]- 403.179381 193.6
[M+Na-2H]- 365.140196 185.7
[M]+ 344.16498142 184.7
[M]- 344.16607858 184.7
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.