CID 362446

Nsc626393

Structural Information

Molecular Formula

C₁₉H₂₀N₂O₂

SMILES

CN1C2=CC=CC=C2C3=C1C4C(C5C3CCCC5)C(=O)NC4=O

InChI

InChI=1S/C19H20N2O2/c1-21-13-9-5-4-8-12(13)14-10-6-2-3-7-11(10)15-16(17(14)21)19(23)20-18(15)22/h4-5,8-11,15-16H,2-3,6-7H2,1H3,(H,20,22,23)

InChIKey

SKKYVSNEQAPJDQ-UHFFFAOYSA-N

Compound name

20-methyl-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 308.15247 Da
Monoisotopic Mass: 2.8
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]+	309.159746	173.0
[M+Na]+	331.141688	182.2
[M-H]-	307.145194	176.4
[M+NH4]+	326.186293	192.4
[M+K]+	347.115628	174.8
[M+H-H2O]+	291.149730	165.9
[M+HCOO]-	353.150671	185.3
[M+CH3COO]-	367.166321	183.1
[M+Na-2H]-	329.127136	172.5
[M]+	308.15192142	170.1
[M]-	308.15301858	170.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.