CID 3071194

Brn 6422766

Structural Information

Molecular Formula

C₁₇H₁₅N₅

SMILES

CN(C)C1=NN2C(=NN=C2C3=CC=CC=C31)C4=CC=CC=C4

InChI

InChI=1S/C17H15N5/c1-21(2)17-14-11-7-6-10-13(14)16-19-18-15(22(16)20-17)12-8-4-3-5-9-12/h3-11H,1-2H3

InChIKey

HIYCGGNODCMEFG-UHFFFAOYSA-N

Compound name

N,N-dimethyl-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: 289.13275 Da
Monoisotopic Mass: 3.1
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]+	290.14003	167.6
[M+Na]+	312.12197	178.6
[M-H]-	288.12547	173.0
[M+NH4]+	307.16657	181.8
[M+K]+	328.09591	172.6
[M+H-H2O]+	272.13001	156.4
[M+HCOO]-	334.13095	188.6
[M+CH3COO]-	348.14660	179.3
[M+Na-2H]-	310.10742	175.6
[M]+	289.13220	171.0
[M]-	289.13330	171.0

Literature stripe

literature stripe

Patent stripe

patents stripe