CID 146262473

Linvemastat

Structural Information

Molecular Formula

C₂₀H₁₇N₃O₄S

SMILES

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

InChI

InChI=1S/C20H17N3O4S/c1-12-10-13(6-8-21-12)11-27-14-2-4-15(5-3-14)28-16-7-9-26-18(16)17-19(24)23-20(25)22-17/h2-10,17H,11H2,1H3,(H2,22,23,24,25)

InChIKey

GUKPADSDFUIAMC-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 395.09396 Da
Monoisotopic Mass: 2.6
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]+	396.101236	191.1
[M+Na]+	418.083178	200.0
[M-H]-	394.086684	199.6
[M+NH4]+	413.127783	199.7
[M+K]+	434.057118	194.2
[M+H-H2O]+	378.091220	183.0
[M+HCOO]-	440.092161	203.9
[M+CH3COO]-	454.107811	200.5
[M+Na-2H]-	416.068626	186.8
[M]+	395.09341142	193.3
[M]-	395.09450858	193.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe