CID 210934

21937-03-1

Structural Information

Molecular Formula
C22H28F3N3O
SMILES
CC1CN(CC(O1)C)CC(C)CN(C2=CC=NC=C2)C3=CC=CC(=C3)C(F)(F)F
InChI
InChI=1S/C22H28F3N3O/c1-16(12-27-14-17(2)29-18(3)15-27)13-28(20-7-9-26-10-8-20)21-6-4-5-19(11-21)22(23,24)25/h4-11,16-18H,12-15H2,1-3H3
InChIKey
RDHHUZKLFMHVMU-UHFFFAOYSA-N
Compound name
N-[3-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-N-[3-(trifluoromethyl)phenyl]pyridin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.21844 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.22572 201.3
[M+Na]+ 430.20766 205.2
[M-H]- 406.21116 205.0
[M+NH4]+ 425.25226 207.6
[M+K]+ 446.18160 201.2
[M+H-H2O]+ 390.21570 187.1
[M+HCOO]- 452.21664 212.1
[M+CH3COO]- 466.23229 230.4
[M+Na-2H]- 428.19311 200.4
[M]+ 407.21789 196.4
[M]- 407.21899 196.4
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.