CID 46235960

Epiglossier ap-1

Structural Information

Molecular Formula

C₂₂H₂₅FN₂O₄S

SMILES

CC(C)(C)C1=CC2=C(C=C1)C=C(CO2)C(=O)NCC3=CC(=C(C=C3)NS(=O)(=O)C)F

InChI

InChI=1S/C22H25FN2O4S/c1-22(2,3)17-7-6-15-10-16(13-29-20(15)11-17)21(26)24-12-14-5-8-19(18(23)9-14)25-30(4,27)28/h5-11,25H,12-13H2,1-4H3,(H,24,26)

InChIKey

OKFWUVPTFAUPEY-UHFFFAOYSA-N

Compound name

7-tert-butyl-N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]-2H-chromene-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 432.15192 Da
Monoisotopic Mass: 3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	433.159196	201.4
[M+Na]+	455.141138	207.4
[M-H]-	431.144644	207.8
[M+NH4]+	450.185743	210.6
[M+K]+	471.115078	203.8
[M+H-H2O]+	415.149180	192.3
[M+HCOO]-	477.150121	213.5
[M+CH3COO]-	491.165771	232.0
[M+Na-2H]-	453.126586	205.4
[M]+	432.15137142	204.3
[M]-	432.15246858	204.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe