CID 135537769

Brn 6023494

Structural Information

Molecular Formula

C₂₂H₂₃N₅O₅

SMILES

C1CCN(CC1)CN2C3=CC=CC=C3C(=C2O)N=NC(=O)COC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H23N5O5/c28-20(14-32-17-10-8-16(9-11-17)27(30)31)23-24-21-18-6-2-3-7-19(18)26(22(21)29)15-25-12-4-1-5-13-25/h2-3,6-11,29H,1,4-5,12-15H2

InChIKey

JTAIPFHVNKOTGO-UHFFFAOYSA-N

Compound name

N-[2-hydroxy-1-(piperidin-1-ylmethyl)indol-3-yl]imino-2-(4-nitrophenoxy)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 437.16992 Da
Monoisotopic Mass: 4.4
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]+	438.177196	198.1
[M+Na]+	460.159138	200.5
[M-H]-	436.162644	206.8
[M+NH4]+	455.203743	205.4
[M+K]+	476.133078	192.8
[M+H-H2O]+	420.167180	190.5
[M+HCOO]-	482.168121	219.8
[M+CH3COO]-	496.183771	228.2
[M+Na-2H]-	458.144586	203.5
[M]+	437.16937142	197.0
[M]-	437.17046858	197.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.