CID 3056229

N-(2-hydroxy-3-(methyl(4-(trifluoromethyl)phenyl)amino)propyl)-3,4,5-trimethoxybenzamide

Structural Information

Molecular Formula
C21H25F3N2O5
SMILES
CN(CC(CNC(=O)C1=CC(=C(C(=C1)OC)OC)OC)O)C2=CC=C(C=C2)C(F)(F)F
InChI
InChI=1S/C21H25F3N2O5/c1-26(15-7-5-14(6-8-15)21(22,23)24)12-16(27)11-25-20(28)13-9-17(29-2)19(31-4)18(10-13)30-3/h5-10,16,27H,11-12H2,1-4H3,(H,25,28)
InChIKey
XRBPRVWAIZBFRO-UHFFFAOYSA-N
Compound name
N-[2-hydroxy-3-[N-methyl-4-(trifluoromethyl)anilino]propyl]-3,4,5-trimethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

442.17157 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.17885 202.1
[M+Na]+ 465.16079 208.1
[M+NH4]+ 460.20539 203.9
[M+K]+ 481.13473 204.8
[M-H]- 441.16429 199.6
[M+Na-2H]- 463.14624 204.1
[M]+ 442.17102 201.7
[M]- 442.17212 201.7
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