CID 124619

3-methoxy-n,n'-diaminophthalamide

Structural Information

Molecular Formula

C₉H₁₂N₄O₃

SMILES

COC1=CC=CC(=C1C(=O)NN)C(=O)NN

InChI

InChI=1S/C9H12N4O3/c1-16-6-4-2-3-5(8(14)12-10)7(6)9(15)13-11/h2-4H,10-11H2,1H3,(H,12,14)(H,13,15)

InChIKey

GNTXGAAFFYOMLW-UHFFFAOYSA-N

Compound name

3-methoxybenzene-1,2-dicarbohydrazide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 16
Patents: 224.09094 Da
Monoisotopic Mass: -1.2
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]+	225.09822	148.8
[M+Na]+	247.08016	155.6
[M+NH4]+	242.12476	153.9
[M+K]+	263.05410	153.1
[M-H]-	223.08366	150.3
[M+Na-2H]-	245.06561	152.3
[M]+	224.09039	149.4
[M]-	224.09149	149.4

Literature stripe

literature stripe

Patent stripe

patents stripe