CID 60263

108679-67-0

Structural Information

Molecular Formula

C₁₀H₁₀N₄O₃S

SMILES

COC1=CC2=C(C=C1)N=C(S2)NC(=O)C(=O)NN

InChI

InChI=1S/C10H10N4O3S/c1-17-5-2-3-6-7(4-5)18-10(12-6)13-8(15)9(16)14-11/h2-4H,11H2,1H3,(H,14,16)(H,12,13,15)

InChIKey

ORWBKXCJMPGWCP-UHFFFAOYSA-N

Compound name

2-hydrazinyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-oxoacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 266.04736 Da
Monoisotopic Mass: 1.4
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]+	267.054636	154.1
[M+Na]+	289.036578	162.5
[M-H]-	265.040084	157.9
[M+NH4]+	284.081183	171.7
[M+K]+	305.010518	159.7
[M+H-H2O]+	249.044620	147.1
[M+HCOO]-	311.045561	175.2
[M+CH3COO]-	325.061211	199.1
[M+Na-2H]-	287.022026	158.1
[M]+	266.04681142	157.2
[M]-	266.04790858	157.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.