CID 6435294

Ethanol, 2-(alpha-methyl-m-trifluoromethylphenethylamino)-, 2-methyl-2-butenoate

Structural Information

Molecular Formula
C17H22F3NO2
SMILES
C/C=C(\C)/C(=O)OCCNC(C)CC1=CC(=CC=C1)C(F)(F)F
InChI
InChI=1S/C17H22F3NO2/c1-4-12(2)16(22)23-9-8-21-13(3)10-14-6-5-7-15(11-14)17(18,19)20/h4-7,11,13,21H,8-10H2,1-3H3/b12-4+
InChIKey
KAZCKTIWXCULAH-UUILKARUSA-N
Compound name
2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]ethyl (E)-2-methylbut-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.16028 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.16756 177.6
[M+Na]+ 352.14950 182.2
[M-H]- 328.15300 176.3
[M+NH4]+ 347.19410 191.1
[M+K]+ 368.12344 178.8
[M+H-H2O]+ 312.15754 168.1
[M+HCOO]- 374.15848 193.6
[M+CH3COO]- 388.17413 212.8
[M+Na-2H]- 350.13495 176.4
[M]+ 329.15973 175.3
[M]- 329.16083 175.3
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.