CID 67177374

Aderamastat

Structural Information

Molecular Formula

C₂₁H₁₈N₂O₄S

SMILES

CC1=CC(=CC=C1)COC2=CC=C(C=C2)SC3=C(OC=C3)C4C(=O)NC(=O)N4

InChI

InChI=1S/C21H18N2O4S/c1-13-3-2-4-14(11-13)12-27-15-5-7-16(8-6-15)28-17-9-10-26-19(17)18-20(24)23-21(25)22-18/h2-11,18H,12H2,1H3,(H2,22,23,24,25)

InChIKey

CXEKSVVDMIAMLF-UHFFFAOYSA-N

Compound name

5-[3-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylfuran-2-yl]imidazolidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 34
Patents: 394.09872 Da
Monoisotopic Mass: 3.7
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]+	395.105996	191.8
[M+Na]+	417.087938	200.3
[M-H]-	393.091444	201.4
[M+NH4]+	412.132543	201.8
[M+K]+	433.061878	194.5
[M+H-H2O]+	377.095980	184.2
[M+HCOO]-	439.096921	205.6
[M+CH3COO]-	453.112571	201.5
[M+Na-2H]-	415.073386	187.3
[M]+	394.09817142	193.9
[M]-	394.09926858	193.9

Literature stripe

literature stripe

Patent stripe

patents stripe