CID 3042230

N-(3-chlorophenyl)-2,6-dimethyl-n-4-pyridinyl-4-morpholinepropanamine mono(2-hydroxybenzoate)

Structural Information

Molecular Formula
C20H26ClN3O
SMILES
CC1CN(CC(O1)C)CCCN(C2=CC=NC=C2)C3=CC(=CC=C3)Cl
InChI
InChI=1S/C20H26ClN3O/c1-16-14-23(15-17(2)25-16)11-4-12-24(19-7-9-22-10-8-19)20-6-3-5-18(21)13-20/h3,5-10,13,16-17H,4,11-12,14-15H2,1-2H3
InChIKey
OLVNWSGLYPBNLS-UHFFFAOYSA-N
Compound name
N-(3-chlorophenyl)-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]pyridin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.17645 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.18373 189.6
[M+Na]+ 382.16567 194.6
[M-H]- 358.16917 197.0
[M+NH4]+ 377.21027 198.9
[M+K]+ 398.13961 190.0
[M+H-H2O]+ 342.17371 178.1
[M+HCOO]- 404.17465 202.2
[M+CH3COO]- 418.19030 198.3
[M+Na-2H]- 380.15112 191.3
[M]+ 359.17590 190.6
[M]- 359.17700 190.6
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.