CID 71587773

Unii-p3lky4zl5o

Structural Information

Molecular Formula
C24H36F3N3O2
SMILES
CC(C)[C@@]1(CC[C@H](C1)N[C@H]2CCOC[C@H]2OC)CN3CCC4=C(C3)C=C(C=N4)C(F)(F)F
InChI
InChI=1S/C24H36F3N3O2/c1-16(2)23(7-4-19(11-23)29-21-6-9-32-14-22(21)31-3)15-30-8-5-20-17(13-30)10-18(12-28-20)24(25,26)27/h10,12,16,19,21-22,29H,4-9,11,13-15H2,1-3H3/t19-,21+,22-,23-/m1/s1
InChIKey
UNVWTBOGMHPKJM-CWKRKGSWSA-N
Compound name
(3S,4S)-3-methoxy-N-[(1R,3S)-3-propan-2-yl-3-[[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]cyclopentyl]oxan-4-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

455.27597 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 456.28325 211.9
[M+Na]+ 478.26519 217.1
[M+NH4]+ 473.30979 217.0
[M+K]+ 494.23913 211.7
[M-H]- 454.26869 212.2
[M+Na-2H]- 476.25064 213.0
[M]+ 455.27542 212.3
[M]- 455.27652 212.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.