CID 3054226

Brn 2881627

Structural Information

Molecular Formula
C13H15F3N2O3
SMILES
CC(C)(C(=O)OC)NC(=O)NC1=CC=C(C=C1)C(F)(F)F
InChI
InChI=1S/C13H15F3N2O3/c1-12(2,10(19)21-3)18-11(20)17-9-6-4-8(5-7-9)13(14,15)16/h4-7H,1-3H3,(H2,17,18,20)
InChIKey
VFBQPWTWCBKABO-UHFFFAOYSA-N
Compound name
methyl 2-methyl-2-[[4-(trifluoromethyl)phenyl]carbamoylamino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

304.1035 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.11078 167.7
[M+Na]+ 327.09272 172.7
[M+NH4]+ 322.13732 170.5
[M+K]+ 343.06666 170.4
[M-H]- 303.09622 163.0
[M+Na-2H]- 325.07817 169.4
[M]+ 304.10295 166.5
[M]- 304.10405 166.5
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

patents stripe