CID 135568379

Benzo(6,7)cyclohept(1,2,3-de)isoquinoline-3-carboxamidoxime, 7,8-dihydro-

Structural Information

Molecular Formula

C₁₈H₁₅N₃O

SMILES

C1CC2=CC=CC=C2C3=CN=C(C4=CC=CC1=C43)/C(=N/O)/N

InChI

InChI=1S/C18H15N3O/c19-18(21-22)17-14-7-3-5-12-9-8-11-4-1-2-6-13(11)15(10-20-17)16(12)14/h1-7,10,22H,8-9H2,(H2,19,21)

InChIKey

UMPZUDLRADSHKZ-UHFFFAOYSA-N

Compound name

N'-hydroxy-16-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2,4,6,10(18),11,13,15-octaene-15-carboximidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 289.12152 Da
Monoisotopic Mass: 3.5
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]+	290.128796	166.0
[M+Na]+	312.110738	173.3
[M-H]-	288.114244	171.5
[M+NH4]+	307.155343	182.2
[M+K]+	328.084678	172.1
[M+H-H2O]+	272.118780	159.5
[M+HCOO]-	334.119721	184.9
[M+CH3COO]-	348.135371	176.6
[M+Na-2H]-	310.096186	174.6
[M]+	289.12097142	162.7
[M]-	289.12206858	162.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.