CID 3087238

Brn 6447412

Structural Information

Molecular Formula

C₂₄H₂₉N₅O₃

SMILES

CC(C)OC1=CC=C(C=C1)C2=NN=C3N2N=C(C4=CC=CC=C43)N(CCOC)CCOC

InChI

InChI=1S/C24H29N5O3/c1-17(2)32-19-11-9-18(10-12-19)22-25-26-23-20-7-5-6-8-21(20)24(27-29(22)23)28(13-15-30-3)14-16-31-4/h5-12,17H,13-16H2,1-4H3

InChIKey

SRMUDIQBHIZHCP-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 435.22705 Da
Monoisotopic Mass: 3.6
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]+	436.234326	207.8
[M+Na]+	458.216268	215.0
[M-H]-	434.219774	212.4
[M+NH4]+	453.260873	215.7
[M+K]+	474.190208	210.5
[M+H-H2O]+	418.224310	195.2
[M+HCOO]-	480.225251	225.6
[M+CH3COO]-	494.240901	236.8
[M+Na-2H]-	456.201716	210.7
[M]+	435.22650142	217.1
[M]-	435.22759858	217.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.