CID 172309

Flubanilate

Structural Information

Molecular Formula
C14H19F3N2O2
SMILES
CCOC(=O)N(CCN(C)C)C1=CC=CC(=C1)C(F)(F)F
InChI
InChI=1S/C14H19F3N2O2/c1-4-21-13(20)19(9-8-18(2)3)12-7-5-6-11(10-12)14(15,16)17/h5-7,10H,4,8-9H2,1-3H3
InChIKey
NBODAQXRWMHEBP-UHFFFAOYSA-N
Compound name
ethyl N-[2-(dimethylamino)ethyl]-N-[3-(trifluoromethyl)phenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

302
Patents

304.13986 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.14714 168.9
[M+Na]+ 327.12908 174.4
[M-H]- 303.13258 170.9
[M+NH4]+ 322.17368 184.6
[M+K]+ 343.10302 174.1
[M+H-H2O]+ 287.13712 158.8
[M+HCOO]- 349.13806 189.7
[M+CH3COO]- 363.15371 214.8
[M+Na-2H]- 325.11453 170.5
[M]+ 304.13931 169.2
[M]- 304.14041 169.2
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.