CID 3070821

86873-22-5

Structural Information

Molecular Formula

C₁₅H₁₉N₅O₂

SMILES

CN1CCN(CC1)CC(=O)N=NC2=C(NC3=CC=CC=C32)O

InChI

InChI=1S/C15H19N5O2/c1-19-6-8-20(9-7-19)10-13(21)17-18-14-11-4-2-3-5-12(11)16-15(14)22/h2-5,16,22H,6-10H2,1H3

InChIKey

DNUOAZJMDHKDKH-UHFFFAOYSA-N

Compound name

N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(4-methylpiperazin-1-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 301.15387 Da
Monoisotopic Mass: 1.9
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]+	302.16115	168.7
[M+Na]+	324.14309	175.3
[M-H]-	300.14659	172.4
[M+NH4]+	319.18769	181.8
[M+K]+	340.11703	170.9
[M+H-H2O]+	284.15113	158.8
[M+HCOO]-	346.15207	188.3
[M+CH3COO]-	360.16772	207.1
[M+Na-2H]-	322.12854	172.7
[M]+	301.15332	166.9
[M]-	301.15442	166.9

Literature stripe

literature stripe

Patent stripe

patents stripe