CID 3086152

Org-2305

Structural Information

Molecular Formula

C₁₈H₂₀N₂

SMILES

CN1CCC2C3=CC=CC=C3CC4=CC=CC=C4N2C1

InChI

InChI=1S/C18H20N2/c1-19-11-10-18-16-8-4-2-6-14(16)12-15-7-3-5-9-17(15)20(18)13-19/h2-9,18H,10-13H2,1H3

InChIKey

BNRNHNFZHLZLQQ-UHFFFAOYSA-N

Compound name

4-methyl-2,4-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1
Patents: 264.16266 Da
Monoisotopic Mass: 3.8
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]+	265.169936	161.2
[M+Na]+	287.151878	168.1
[M-H]-	263.155384	165.3
[M+NH4]+	282.196483	177.3
[M+K]+	303.125818	165.2
[M+H-H2O]+	247.159920	153.3
[M+HCOO]-	309.160861	175.0
[M+CH3COO]-	323.176511	171.3
[M+Na-2H]-	285.137326	168.0
[M]+	264.16211142	155.4
[M]-	264.16320858	155.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe