CID 3071198

Brn 6427585

Structural Information

Molecular Formula

C₁₈H₁₇N₅

SMILES

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

InChI

InChI=1S/C18H17N5/c1-3-22(2)18-15-12-8-7-11-14(15)17-20-19-16(23(17)21-18)13-9-5-4-6-10-13/h4-12H,3H2,1-2H3

InChIKey

ZLQUOXVDPWOMCY-UHFFFAOYSA-N

Compound name

N-ethyl-N-methyl-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: 303.1484 Da
Monoisotopic Mass: 3.5
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]+	304.15568	172.1
[M+Na]+	326.13762	182.6
[M-H]-	302.14112	177.4
[M+NH4]+	321.18222	185.8
[M+K]+	342.11156	176.4
[M+H-H2O]+	286.14566	160.7
[M+HCOO]-	348.14660	192.7
[M+CH3COO]-	362.16225	183.4
[M+Na-2H]-	324.12307	179.6
[M]+	303.14785	175.8
[M]-	303.14895	175.8

Literature stripe

literature stripe

Patent stripe

patents stripe