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-dimethylpyridin-4-yl)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]+ 345.17281 185.0
[M+Na]+ 367.15475 190.4
[M-H]- 343.15825 191.1
[M+NH4]+ 362.19935 194.5
[M+K]+ 383.12869 185.0
[M+H-H2O]+ 327.16279 174.1
[M+HCOO]- 389.16373 195.0
[M+CH3COO]- 403.17938 193.6
[M+Na-2H]- 365.14020 185.7
[M]+ 344.16498 184.7
[M]- 344.16608 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.