CID 24765479

Suvecaltamide

Structural Information

Molecular Formula
C20H23F3N2O2
SMILES
C[C@H](C1=NC=C(C=C1)OCC(F)(F)F)NC(=O)CC2=CC=C(C=C2)C(C)C
InChI
InChI=1S/C20H23F3N2O2/c1-13(2)16-6-4-15(5-7-16)10-19(26)25-14(3)18-9-8-17(11-24-18)27-12-20(21,22)23/h4-9,11,13-14H,10,12H2,1-3H3,(H,25,26)/t14-/m1/s1
InChIKey
IQIKXZMPPBEWAD-CQSZACIVSA-N
Compound name
2-(4-propan-2-ylphenyl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyridin-2-yl]ethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

71
Patents

380.17117 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.17845 190.1
[M+Na]+ 403.16039 195.0
[M-H]- 379.16389 190.9
[M+NH4]+ 398.20499 199.9
[M+K]+ 419.13433 190.8
[M+H-H2O]+ 363.16843 178.3
[M+HCOO]- 425.16937 204.9
[M+CH3COO]- 439.18502 222.7
[M+Na-2H]- 401.14584 189.5
[M]+ 380.17062 188.1
[M]- 380.17172 188.1
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