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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.10124 191.1
[M+Na]+ 418.08318 200.0
[M-H]- 394.08668 199.6
[M+NH4]+ 413.12778 199.7
[M+K]+ 434.05712 194.2
[M+H-H2O]+ 378.09122 183.0
[M+HCOO]- 440.09216 203.9
[M+CH3COO]- 454.10781 200.5
[M+Na-2H]- 416.06863 186.8
[M]+ 395.09341 193.3
[M]- 395.09451 193.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe