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)-2-pyridinyl]ethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

78
Patents

380.17117 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.178446 190.1
[M+Na]+ 403.160388 195.0
[M-H]- 379.163894 190.9
[M+NH4]+ 398.204993 199.9
[M+K]+ 419.134328 190.8
[M+H-H2O]+ 363.168430 178.3
[M+HCOO]- 425.169371 204.9
[M+CH3COO]- 439.185021 222.7
[M+Na-2H]- 401.145836 189.5
[M]+ 380.17062142 188.1
[M]- 380.17171858 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