CID 3062462

98124-13-1

Structural Information

Molecular Formula

C₂₀H₂₀N₄O₃

SMILES

COCCOCC1=NN2C(=NN=C2C3=CC=CC=C31)C4=CC=C(C=C4)OC

InChI

InChI=1S/C20H20N4O3/c1-25-11-12-27-13-18-16-5-3-4-6-17(16)20-22-21-19(24(20)23-18)14-7-9-15(26-2)10-8-14/h3-10H,11-13H2,1-2H3

InChIKey

YSKCSMCLWKOPTC-UHFFFAOYSA-N

Compound name

6-(2-methoxyethoxymethyl)-3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 364.15353 Da
Monoisotopic Mass: 2.2
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]+	365.160806	187.7
[M+Na]+	387.142748	198.2
[M-H]-	363.146254	191.6
[M+NH4]+	382.187353	198.4
[M+K]+	403.116688	192.4
[M+H-H2O]+	347.150790	176.0
[M+HCOO]-	409.151731	206.4
[M+CH3COO]-	423.167381	197.7
[M+Na-2H]-	385.128196	193.3
[M]+	364.15298142	195.7
[M]-	364.15407858	195.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe