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 164.9
[M+Na]+ 327.09272 170.9
[M-H]- 303.09622 164.6
[M+NH4]+ 322.13732 179.3
[M+K]+ 343.06666 169.2
[M+H-H2O]+ 287.10076 156.1
[M+HCOO]- 349.10170 182.9
[M+CH3COO]- 363.11735 206.9
[M+Na-2H]- 325.07817 168.6
[M]+ 304.10295 161.8
[M]- 304.10405 161.8
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

patents stripe