CID 90464182

Xlr11 degradant

Structural Information

Molecular Formula

C₂₁H₂₈FNO

SMILES

CC(=C)C(C)(C)CC(=O)C1=CN(C2=CC=CC=C21)CCCCCF

InChI

InChI=1S/C21H28FNO/c1-16(2)21(3,4)14-20(24)18-15-23(13-9-5-8-12-22)19-11-7-6-10-17(18)19/h6-7,10-11,15H,1,5,8-9,12-14H2,2-4H3

InChIKey

BEZVSTOQIZTNCK-UHFFFAOYSA-N

Compound name

1-[1-(5-fluoropentyl)indol-3-yl]-3,3,4-trimethylpent-4-en-1-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 4
Patents: 329.21548 Da
Monoisotopic Mass: 5.6
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]+	330.222756	183.9
[M+Na]+	352.204698	190.8
[M-H]-	328.208204	185.3
[M+NH4]+	347.249303	199.7
[M+K]+	368.178638	185.3
[M+H-H2O]+	312.212740	175.9
[M+HCOO]-	374.213681	201.1
[M+CH3COO]-	388.229331	214.3
[M+Na-2H]-	350.190146	183.6
[M]+	329.21493142	187.5
[M]-	329.21602858	187.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe