CID 210936

21937-04-2

Structural Information

Molecular Formula
C22H28F3N3O
SMILES
CC(CN(C)CC1CCCO1)CN(C2=CC=NC=C2)C3=CC=CC(=C3)C(F)(F)F
InChI
InChI=1S/C22H28F3N3O/c1-17(14-27(2)16-21-7-4-12-29-21)15-28(19-8-10-26-11-9-19)20-6-3-5-18(13-20)22(23,24)25/h3,5-6,8-11,13,17,21H,4,7,12,14-16H2,1-2H3
InChIKey
TYRCRGSJLFGMPR-UHFFFAOYSA-N
Compound name
N,2-dimethyl-N-(oxolan-2-ylmethyl)-N'-pyridin-4-yl-N'-[3-(trifluoromethyl)phenyl]propane-1,3-diamine
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 198.5
[M+Na]+ 430.20766 200.6
[M-H]- 406.21116 204.8
[M+NH4]+ 425.25226 207.9
[M+K]+ 446.18160 198.4
[M+H-H2O]+ 390.21570 185.4
[M+HCOO]- 452.21664 214.6
[M+CH3COO]- 466.23229 233.1
[M+Na-2H]- 428.19311 197.5
[M]+ 407.21789 195.3
[M]- 407.21899 195.3
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.