CID 462924

Schembl8379210

Structural Information

Molecular Formula

C₁₆H₁₆N₂O₄S₂

SMILES

COC1=CC(=C(C=C1)SSC2=C(C=C(C=C2)OC)C(=O)N)C(=O)N

InChI

InChI=1S/C16H16N2O4S2/c1-21-9-3-5-13(11(7-9)15(17)19)23-24-14-6-4-10(22-2)8-12(14)16(18)20/h3-8H,1-2H3,(H2,17,19)(H2,18,20)

InChIKey

WAOWJSJIJKAVAS-UHFFFAOYSA-N

Compound name

2-[(2-carbamoyl-4-methoxyphenyl)disulfanyl]-5-methoxybenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 14
Patents: 364.05515 Da
Monoisotopic Mass: 1.7
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]+	365.06243	180.3
[M+Na]+	387.04437	186.5
[M-H]-	363.04787	185.3
[M+NH4]+	382.08897	191.9
[M+K]+	403.01831	180.7
[M+H-H2O]+	347.05241	171.9
[M+HCOO]-	409.05335	192.4
[M+CH3COO]-	423.06900	218.0
[M+Na-2H]-	385.02982	178.0
[M]+	364.05460	183.9
[M]-	364.05570	183.9

Literature stripe

literature stripe

Patent stripe

patents stripe