CID 3071195

Brn 6429812

Structural Information

Molecular Formula

C₁₉H₁₉N₅

SMILES

CCN(CC)C1=NN2C(=NN=C2C3=CC=CC=C31)C4=CC=CC=C4

InChI

InChI=1S/C19H19N5/c1-3-23(4-2)19-16-13-9-8-12-15(16)18-21-20-17(24(18)22-19)14-10-6-5-7-11-14/h5-13H,3-4H2,1-2H3

InChIKey

MYVVUIHTMICTCX-UHFFFAOYSA-N

Compound name

N,N-diethyl-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 317.16403 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]+	318.17131	176.6
[M+Na]+	340.15325	186.6
[M-H]-	316.15675	181.7
[M+NH4]+	335.19785	189.7
[M+K]+	356.12719	180.2
[M+H-H2O]+	300.16129	165.0
[M+HCOO]-	362.16223	196.9
[M+CH3COO]-	376.17788	187.4
[M+Na-2H]-	338.13870	183.6
[M]+	317.16348	180.6
[M]-	317.16458	180.6

Literature stripe

literature stripe

Patent stripe

patents stripe