CID 135770324

86873-15-6

Structural Information

Molecular Formula

C₁₄H₁₆N₄O₃

SMILES

C1COCCN1CC(=O)N=NC2=C(NC3=CC=CC=C32)O

InChI

InChI=1S/C14H16N4O3/c19-12(9-18-5-7-21-8-6-18)16-17-13-10-3-1-2-4-11(10)15-14(13)20/h1-4,15,20H,5-9H2

InChIKey

GUPCRYOZSVBYKV-UHFFFAOYSA-N

Compound name

N-[(2-hydroxy-1H-indol-3-yl)imino]-2-morpholin-4-ylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 288.12225 Da
Monoisotopic Mass: 1.7
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]+	289.12953	162.7
[M+Na]+	311.11147	168.8
[M-H]-	287.11497	168.1
[M+NH4]+	306.15607	176.0
[M+K]+	327.08541	166.4
[M+H-H2O]+	271.11951	153.5
[M+HCOO]-	333.12045	183.3
[M+CH3COO]-	347.13610	202.4
[M+Na-2H]-	309.09692	168.5
[M]+	288.12170	161.6
[M]-	288.12280	161.6

Literature stripe

literature stripe

Patent stripe

patents stripe