CID 3071184

Brn 6441892

Structural Information

Molecular Formula

C₂₁H₂₃N₅O₂

SMILES

COCCN(CCOC)C1=NN2C(=NN=C2C3=CC=CC=C31)C4=CC=CC=C4

InChI

InChI=1S/C21H23N5O2/c1-27-14-12-25(13-15-28-2)21-18-11-7-6-10-17(18)20-23-22-19(26(20)24-21)16-8-4-3-5-9-16/h3-11H,12-15H2,1-2H3

InChIKey

RMXHNVJURKDVJK-UHFFFAOYSA-N

Compound name

N,N-bis(2-methoxyethyl)-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 377.18518 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]+	378.192456	190.8
[M+Na]+	400.174398	199.2
[M-H]-	376.177904	195.4
[M+NH4]+	395.219003	201.0
[M+K]+	416.148338	193.8
[M+H-H2O]+	360.182440	178.4
[M+HCOO]-	422.183381	210.5
[M+CH3COO]-	436.199031	200.2
[M+Na-2H]-	398.159846	196.9
[M]+	377.18463142	197.9
[M]-	377.18572858	197.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.