CID 167730058

2913229-05-5

Structural Information

Molecular Formula
C17H20F3NO5
SMILES
CC(C)(C)OC(=O)NC1CC(C1)(C2=CC=CC=C2OC(F)(F)F)C(=O)O
InChI
InChI=1S/C17H20F3NO5/c1-15(2,3)26-14(24)21-10-8-16(9-10,13(22)23)11-6-4-5-7-12(11)25-17(18,19)20/h4-7,10H,8-9H2,1-3H3,(H,21,24)(H,22,23)
InChIKey
XGFGXBAZMPIWRG-UHFFFAOYSA-N
Compound name
3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-[2-(trifluoromethoxy)phenyl]cyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.12936 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.13664 188.1
[M+Na]+ 398.11858 191.7
[M-H]- 374.12208 189.0
[M+NH4]+ 393.16318 194.3
[M+K]+ 414.09252 193.4
[M+H-H2O]+ 358.12662 174.4
[M+HCOO]- 420.12756 200.4
[M+CH3COO]- 434.14321 216.9
[M+Na-2H]- 396.10403 188.9
[M]+ 375.12881 194.3
[M]- 375.12991 194.3
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.