CID 3056235

73584-26-6

Structural Information

Molecular Formula
C23H31FN2O5
SMILES
CCCCOC1=C(C=C(C=C1OC)C(=O)NCC(CN(C)C2=CC=C(C=C2)F)O)OC
InChI
InChI=1S/C23H31FN2O5/c1-5-6-11-31-22-20(29-3)12-16(13-21(22)30-4)23(28)25-14-19(27)15-26(2)18-9-7-17(24)8-10-18/h7-10,12-13,19,27H,5-6,11,14-15H2,1-4H3,(H,25,28)
InChIKey
QXZAYCGBKRZMNL-UHFFFAOYSA-N
Compound name
4-butoxy-N-[3-(4-fluoro-N-methylanilino)-2-hydroxypropyl]-3,5-dimethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

434.2217 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.22898 206.7
[M+Na]+ 457.21092 215.1
[M+NH4]+ 452.25552 210.3
[M+K]+ 473.18486 209.9
[M-H]- 433.21442 208.1
[M+Na-2H]- 455.19637 210.1
[M]+ 434.22115 207.8
[M]- 434.22225 207.8
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