CID 11610526

Lasmiditan

Structural Information

Molecular Formula
C19H18F3N3O2
SMILES
CN1CCC(CC1)C(=O)C2=NC(=CC=C2)NC(=O)C3=C(C=C(C=C3F)F)F
InChI
InChI=1S/C19H18F3N3O2/c1-25-7-5-11(6-8-25)18(26)15-3-2-4-16(23-15)24-19(27)17-13(21)9-12(20)10-14(17)22/h2-4,9-11H,5-8H2,1H3,(H,23,24,27)
InChIKey
XEDHVZKDSYZQBF-UHFFFAOYSA-N
Compound name
2,4,6-trifluoro-N-[6-(1-methylpiperidine-4-carbonyl)pyridin-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

122
References

924
Patents

377.1351 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.14238 188.0
[M+Na]+ 400.12432 194.5
[M-H]- 376.12782 190.8
[M+NH4]+ 395.16892 196.4
[M+K]+ 416.09826 188.4
[M+H-H2O]+ 360.13236 174.6
[M+HCOO]- 422.13330 201.4
[M+CH3COO]- 436.14895 221.9
[M+Na-2H]- 398.10977 185.6
[M]+ 377.13455 181.2
[M]- 377.13565 181.2
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