CID 9571410

Nsc653511

Structural Information

Molecular Formula

C₁₇H₁₅N₃O₂

SMILES

CC1=CC=C(C=C1)N2C=C(C3=CC=CC=C3C2=O)/C(=N/O)/N

InChI

InChI=1S/C17H15N3O2/c1-11-6-8-12(9-7-11)20-10-15(16(18)19-22)13-4-2-3-5-14(13)17(20)21/h2-10,22H,1H3,(H2,18,19)

InChIKey

KYELMGOGLTXDJH-UHFFFAOYSA-N

Compound name

N'-hydroxy-2-(4-methylphenyl)-1-oxoisoquinoline-4-carboximidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 293.11642 Da
Monoisotopic Mass: 2.3
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]+	294.123696	167.0
[M+Na]+	316.105638	175.8
[M-H]-	292.109144	173.5
[M+NH4]+	311.150243	181.3
[M+K]+	332.079578	170.5
[M+H-H2O]+	276.113680	158.0
[M+HCOO]-	338.114621	189.9
[M+CH3COO]-	352.130271	208.5
[M+Na-2H]-	314.091086	172.5
[M]+	293.11587142	166.3
[M]-	293.11696858	166.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.