CID 11559601

Metcamifen

Structural Information

Molecular Formula

C₁₆H₁₇N₃O₅S

SMILES

CNC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC(=O)C2=CC=CC=C2OC

InChI

InChI=1S/C16H17N3O5S/c1-17-16(21)18-11-7-9-12(10-8-11)25(22,23)19-15(20)13-5-3-4-6-14(13)24-2/h3-10H,1-2H3,(H,19,20)(H2,17,18,21)

InChIKey

JCHMGYRXQDASJE-UHFFFAOYSA-N

Compound name

2-methoxy-N-[4-(methylcarbamoylamino)phenyl]sulfonylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6609
Patents: 363.0889 Da
Monoisotopic Mass: 2.1
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]+	364.09618	180.8
[M+Na]+	386.07812	189.0
[M+NH4]+	381.12272	185.2
[M+K]+	402.05206	183.8
[M-H]-	362.08162	183.0
[M+Na-2H]-	384.06357	186.8
[M]+	363.08835	182.6
[M]-	363.08945	182.6

Literature stripe

literature stripe

Patent stripe

patents stripe