CID 20679607

Schembl7563286

Structural Information

Molecular Formula

C₁₃H₁₄N₂O₄S

SMILES

COC1=C(C=C(C=C1)C2=CC=CC=C2)NNS(=O)(=O)O

InChI

InChI=1S/C13H14N2O4S/c1-19-13-8-7-11(10-5-3-2-4-6-10)9-12(13)14-15-20(16,17)18/h2-9,14-15H,1H3,(H,16,17,18)

InChIKey

UDQTZGRYYNZNTO-UHFFFAOYSA-N

Compound name

(2-methoxy-5-phenylanilino)sulfamic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 294.0674 Da
Monoisotopic Mass: 2.3
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]+	295.074676	162.1
[M+Na]+	317.056618	169.2
[M-H]-	293.060124	167.8
[M+NH4]+	312.101223	176.4
[M+K]+	333.030558	164.9
[M+H-H2O]+	277.064660	154.5
[M+HCOO]-	339.065601	181.7
[M+CH3COO]-	353.081251	200.0
[M+Na-2H]-	315.042066	168.2
[M]+	294.06685142	164.2
[M]-	294.06794858	164.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe