CID 137146965

Azidoindolene 1

Structural Information

Molecular Formula

C₂₁H₂₈FN₃O₂

SMILES

CC1(C(C1(C)C)C(=O)N=NC2=C(N(C3=CC=CC=C32)CCCCCF)O)C

InChI

InChI=1S/C21H28FN3O2/c1-20(2)17(21(20,3)4)18(26)24-23-16-14-10-6-7-11-15(14)25(19(16)27)13-9-5-8-12-22/h6-7,10-11,17,27H,5,8-9,12-13H2,1-4H3

InChIKey

OYSGCJWUJHZLBD-UHFFFAOYSA-N

Compound name

N-[1-(5-fluoropentyl)-2-hydroxyindol-3-yl]imino-2,2,3,3-tetramethylcyclopropane-1-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 373.21655 Da
Monoisotopic Mass: 5.4
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]+	374.223826	186.2
[M+Na]+	396.205768	197.4
[M-H]-	372.209274	193.8
[M+NH4]+	391.250373	200.1
[M+K]+	412.179708	192.3
[M+H-H2O]+	356.213810	179.4
[M+HCOO]-	418.214751	209.0
[M+CH3COO]-	432.230401	228.7
[M+Na-2H]-	394.191216	188.8
[M]+	373.21600142	195.6
[M]-	373.21709858	195.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe