CID 5284402

Indolidan

Structural Information

Molecular Formula

C₁₄H₁₅N₃O₂

SMILES

CC1(C2=C(C=CC(=C2)C3=NNC(=O)CC3)NC1=O)C

InChI

InChI=1S/C14H15N3O2/c1-14(2)9-7-8(3-4-11(9)15-13(14)19)10-5-6-12(18)17-16-10/h3-4,7H,5-6H2,1-2H3,(H,15,19)(H,17,18)

InChIKey

LZCQFJKUAIWHRW-UHFFFAOYSA-N

Compound name

3,3-dimethyl-5-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1H-indol-2-one

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 27
References: 1294
Patents: 257.11642 Da
Monoisotopic Mass: 0.7
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]+	258.123696	160.2
[M+Na]+	280.105638	169.5
[M-H]-	256.109144	161.6
[M+NH4]+	275.150243	176.7
[M+K]+	296.079578	163.5
[M+H-H2O]+	240.113680	152.3
[M+HCOO]-	302.114621	174.7
[M+CH3COO]-	316.130271	170.8
[M+Na-2H]-	278.091086	162.8
[M]+	257.11587142	155.9
[M]-	257.11696858	155.9

Literature stripe

literature stripe

Patent stripe

patents stripe