CID 3056230

73572-01-7

Structural Information

Molecular Formula
C21H27FN2O5
SMILES
CCN(CC(CNC(=O)C1=CC(=C(C(=C1)OC)OC)OC)O)C2=CC=C(C=C2)F
InChI
InChI=1S/C21H27FN2O5/c1-5-24(16-8-6-15(22)7-9-16)13-17(25)12-23-21(26)14-10-18(27-2)20(29-4)19(11-14)28-3/h6-11,17,25H,5,12-13H2,1-4H3,(H,23,26)
InChIKey
AWNPYWZLCNLFNT-UHFFFAOYSA-N
Compound name
N-[3-(N-ethyl-4-fluoroanilino)-2-hydroxypropyl]-3,4,5-trimethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

406.1904 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.19768 197.2
[M+Na]+ 429.17962 201.3
[M-H]- 405.18312 202.2
[M+NH4]+ 424.22422 207.1
[M+K]+ 445.15356 200.1
[M+H-H2O]+ 389.18766 186.7
[M+HCOO]- 451.18860 218.2
[M+CH3COO]- 465.20425 232.1
[M+Na-2H]- 427.16507 195.5
[M]+ 406.18985 202.2
[M]- 406.19095 202.2
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

patents stripe