CID 129730

Isonoraptazepine

Structural Information

Molecular Formula

C₁₅H₁₇N₃

SMILES

C1CN2CC3=CC=CC=C3N4C=CC=C4C2CN1

InChI

InChI=1S/C15H17N3/c1-2-5-13-12(4-1)11-17-9-7-16-10-15(17)14-6-3-8-18(13)14/h1-6,8,15-16H,7,9-11H2

InChIKey

HYVNCVDAKNYUHU-UHFFFAOYSA-N

Compound name

2,9,12-triazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,14,16-pentaene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 239.14224 Da
Monoisotopic Mass: 1.1
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]+	240.149516	154.2
[M+Na]+	262.131458	161.3
[M-H]-	238.134964	156.1
[M+NH4]+	257.176063	170.9
[M+K]+	278.105398	157.5
[M+H-H2O]+	222.139500	145.7
[M+HCOO]-	284.140441	167.2
[M+CH3COO]-	298.156091	164.1
[M+Na-2H]-	260.116906	159.7
[M]+	239.14169142	146.9
[M]-	239.14278858	146.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.