CID 9907401

Org-13011

Structural Information

Molecular Formula
C18H25F3N4O
SMILES
C1CC(=O)N(C1)CCCCN2CCN(CC2)C3=NC=CC(=C3)C(F)(F)F
InChI
InChI=1S/C18H25F3N4O/c19-18(20,21)15-5-6-22-16(14-15)24-12-10-23(11-13-24)7-1-2-8-25-9-3-4-17(25)26/h5-6,14H,1-4,7-13H2
InChIKey
YKJJCYZZWWSBEW-UHFFFAOYSA-N
Compound name
1-[4-[4-[4-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]butyl]pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

59
Patents

370.19806 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.20534 191.0
[M+Na]+ 393.18728 198.0
[M+NH4]+ 388.23188 194.1
[M+K]+ 409.16122 193.9
[M-H]- 369.19078 188.3
[M+Na-2H]- 391.17273 193.2
[M]+ 370.19751 190.7
[M]- 370.19861 190.7
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

patents stripe