CID 55885

Flestolol

Structural Information

Molecular Formula
C15H22FN3O4
SMILES
CC(C)(CNC(=O)N)NCC(COC(=O)C1=CC=CC=C1F)O
InChI
InChI=1S/C15H22FN3O4/c1-15(2,9-18-14(17)22)19-7-10(20)8-23-13(21)11-5-3-4-6-12(11)16/h3-6,10,19-20H,7-9H2,1-2H3,(H3,17,18,22)
InChIKey
ZPLOQFLCMVIWRY-UHFFFAOYSA-N
Compound name
[3-[[1-(carbamoylamino)-2-methylpropan-2-yl]amino]-2-hydroxypropyl] 2-fluorobenzoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

24
References

841
Patents

327.15942 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.16670 175.4
[M+Na]+ 350.14864 178.0
[M-H]- 326.15214 175.1
[M+NH4]+ 345.19324 187.1
[M+K]+ 366.12258 176.5
[M+H-H2O]+ 310.15668 167.0
[M+HCOO]- 372.15762 194.5
[M+CH3COO]- 386.17327 214.0
[M+Na-2H]- 348.13409 176.0
[M]+ 327.15887 173.2
[M]- 327.15997 173.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe