CID 154699470

Ns00117236

Structural Information

Molecular Formula

C₁₁H₁₀N₂O₄S

SMILES

C1=CC=C(C=C1)C2=CN=C(C=C2)NOS(=O)(=O)O

InChI

InChI=1S/C11H10N2O4S/c14-18(15,16)17-13-11-7-6-10(8-12-11)9-4-2-1-3-5-9/h1-8H,(H,12,13)(H,14,15,16)

InChIKey

ADCZAHJFXXSWIV-UHFFFAOYSA-N

Compound name

[(5-phenyl-2-pyridinyl)amino] hydrogen sulfate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 266.03613 Da
Monoisotopic Mass: 1.9
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]+	267.043406	154.6
[M+Na]+	289.025348	162.8
[M-H]-	265.028854	159.1
[M+NH4]+	284.069953	168.8
[M+K]+	304.999288	158.7
[M+H-H2O]+	249.033390	147.0
[M+HCOO]-	311.034331	172.7
[M+CH3COO]-	325.049981	190.2
[M+Na-2H]-	287.010796	161.7
[M]+	266.03558142	156.8
[M]-	266.03667858	156.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.