CID 3812911

2-methyl-n-[3-(trifluoromethyl)phenyl]-1-oxa-4-azaspiro[4.6]undecane-4-carboxamide

Structural Information

Molecular Formula
C18H23F3N2O2
SMILES
CC1CN(C2(O1)CCCCCC2)C(=O)NC3=CC=CC(=C3)C(F)(F)F
InChI
InChI=1S/C18H23F3N2O2/c1-13-12-23(17(25-13)9-4-2-3-5-10-17)16(24)22-15-8-6-7-14(11-15)18(19,20)21/h6-8,11,13H,2-5,9-10,12H2,1H3,(H,22,24)
InChIKey
QARNRQPSEMJMRH-UHFFFAOYSA-N
Compound name
2-methyl-N-[3-(trifluoromethyl)phenyl]-1-oxa-4-azaspiro[4.6]undecane-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.17117 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.17845 176.0
[M+Na]+ 379.16039 179.2
[M-H]- 355.16389 180.4
[M+NH4]+ 374.20499 188.7
[M+K]+ 395.13433 179.7
[M+H-H2O]+ 339.16843 165.9
[M+HCOO]- 401.16937 187.5
[M+CH3COO]- 415.18502 211.8
[M+Na-2H]- 377.14584 176.4
[M]+ 356.17062 164.8
[M]- 356.17172 164.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.