CID 210932

N-4-pyridinyl-n-(3-(trifluoromethyl)phenyl)-4-morpholinepropanamine bis(2-hydroxybenzoate)

Structural Information

Molecular Formula
C19H22F3N3O
SMILES
C1COCCN1CCCN(C2=CC=NC=C2)C3=CC=CC(=C3)C(F)(F)F
InChI
InChI=1S/C19H22F3N3O/c20-19(21,22)16-3-1-4-18(15-16)25(17-5-7-23-8-6-17)10-2-9-24-11-13-26-14-12-24/h1,3-8,15H,2,9-14H2
InChIKey
XLVSRLXDQXKONW-UHFFFAOYSA-N
Compound name
N-(3-morpholin-4-ylpropyl)-N-[3-(trifluoromethyl)phenyl]pyridin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

365.1715 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.17878 186.6
[M+Na]+ 388.16072 190.1
[M-H]- 364.16422 189.8
[M+NH4]+ 383.20532 194.0
[M+K]+ 404.13466 186.2
[M+H-H2O]+ 348.16876 172.2
[M+HCOO]- 410.16970 199.4
[M+CH3COO]- 424.18535 218.4
[M+Na-2H]- 386.14617 189.8
[M]+ 365.17095 180.4
[M]- 365.17205 180.4
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.