CID 3042232

2,6-dimethyl-n-4-pyridinyl-n-(3-(trifluoromethyl)phenyl)-4-morpholinepropanamine

Structural Information

Molecular Formula
C21H26F3N3O
SMILES
CC1CN(CC(O1)C)CCCN(C2=CC=NC=C2)C3=CC=CC(=C3)C(F)(F)F
InChI
InChI=1S/C21H26F3N3O/c1-16-14-26(15-17(2)28-16)11-4-12-27(19-7-9-25-10-8-19)20-6-3-5-18(13-20)21(22,23)24/h3,5-10,13,16-17H,4,11-12,14-15H2,1-2H3
InChIKey
AXLFLMSKXLKSNK-UHFFFAOYSA-N
Compound name
N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-N-[3-(trifluoromethyl)phenyl]pyridin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

393.2028 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.21008 197.4
[M+Na]+ 416.19202 202.0
[M-H]- 392.19552 201.1
[M+NH4]+ 411.23662 204.4
[M+K]+ 432.16596 197.7
[M+H-H2O]+ 376.20006 183.1
[M+HCOO]- 438.20100 209.5
[M+CH3COO]- 452.21665 226.6
[M+Na-2H]- 414.17747 198.1
[M]+ 393.20225 192.7
[M]- 393.20335 192.7
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.