CID 3079747

Brn 4760274

Structural Information

Molecular Formula

C₁₆H₁₅N₃O₂S

SMILES

COC1=CC2=C(C3=CC=CC=C3N=C2C=C1)SCC(=O)NN

InChI

InChI=1S/C16H15N3O2S/c1-21-10-6-7-14-12(8-10)16(22-9-15(20)19-17)11-4-2-3-5-13(11)18-14/h2-8H,9,17H2,1H3,(H,19,20)

InChIKey

GAEVJAWMAJSEPT-UHFFFAOYSA-N

Compound name

2-(2-methoxyacridin-9-yl)sulfanylacetohydrazide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 313.0885 Da
Monoisotopic Mass: 2.6
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]+	314.095776	167.0
[M+Na]+	336.077718	176.0
[M-H]-	312.081224	170.8
[M+NH4]+	331.122323	182.3
[M+K]+	352.051658	170.5
[M+H-H2O]+	296.085760	159.1
[M+HCOO]-	358.086701	184.7
[M+CH3COO]-	372.102351	178.1
[M+Na-2H]-	334.063166	173.8
[M]+	313.08795142	171.4
[M]-	313.08904858	171.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.