CID 135480776

2-cyclopentyl-1,2-dihydro-1,3,4,9-tetraaza-phenanthrene

Structural Information

Molecular Formula

C₁₅H₁₆N₄

SMILES

C1CCC(C1)C2NC3=C(C4=CC=CC=C4N=C3)N=N2

InChI

InChI=1S/C15H16N4/c1-2-6-10(5-1)15-17-13-9-16-12-8-4-3-7-11(12)14(13)18-19-15/h3-4,7-10,15,17H,1-2,5-6H2

InChIKey

DATQIUTUTBGYFJ-UHFFFAOYSA-N

Compound name

3-cyclopentyl-3,4-dihydro-[1,2,4]triazino[5,6-c]quinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 252.1375 Da
Monoisotopic Mass: 4.0
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]+	253.144776	158.8
[M+Na]+	275.126718	166.1
[M-H]-	251.130224	159.9
[M+NH4]+	270.171323	173.0
[M+K]+	291.100658	159.4
[M+H-H2O]+	235.134760	148.1
[M+HCOO]-	297.135701	171.9
[M+CH3COO]-	311.151351	168.3
[M+Na-2H]-	273.112166	164.0
[M]+	252.13695142	153.2
[M]-	252.13804858	153.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.