CID 3056234

73584-17-5

Structural Information

Molecular Formula
C20H23FN2O5
SMILES
CN(CC(CNC(=O)C1=C2C(=C(C=C1)OC)OCCO2)O)C3=CC=C(C=C3)F
InChI
InChI=1S/C20H23FN2O5/c1-23(14-5-3-13(21)4-6-14)12-15(24)11-22-20(25)16-7-8-17(26-2)19-18(16)27-9-10-28-19/h3-8,15,24H,9-12H2,1-2H3,(H,22,25)
InChIKey
VQRVFXGUXAMORU-UHFFFAOYSA-N
Compound name
N-[3-(4-fluoro-N-methylanilino)-2-hydroxypropyl]-5-methoxy-2,3-dihydro-1,4-benzodioxine-8-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.1591 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.16638 193.8
[M+Na]+ 413.14832 197.2
[M-H]- 389.15182 200.4
[M+NH4]+ 408.19292 202.1
[M+K]+ 429.12226 197.6
[M+H-H2O]+ 373.15636 183.3
[M+HCOO]- 435.15730 210.0
[M+CH3COO]- 449.17295 227.2
[M+Na-2H]- 411.13377 195.9
[M]+ 390.15855 195.3
[M]- 390.15965 195.3
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.