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 202.5
[M+Na]+ 465.16079 207.3
[M-H]- 441.16429 205.1
[M+NH4]+ 460.20539 211.0
[M+K]+ 481.13473 205.7
[M+H-H2O]+ 425.16883 190.8
[M+HCOO]- 487.16977 219.8
[M+CH3COO]- 501.18542 237.2
[M+Na-2H]- 463.14624 200.8
[M]+ 442.17102 204.6
[M]- 442.17212 204.6
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