CID 3076095

Brn 4262669

Structural Information

Molecular Formula

C₁₁H₁₃N₃O₂S₂

SMILES

COC1=CC=C(C=C1)C2N(C(=O)CS2)NC(=S)N

InChI

InChI=1S/C11H13N3O2S2/c1-16-8-4-2-7(3-5-8)10-14(13-11(12)17)9(15)6-18-10/h2-5,10H,6H2,1H3,(H3,12,13,17)

InChIKey

RVLIFVJZWWBOTP-UHFFFAOYSA-N

Compound name

[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]thiourea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 283.04492 Da
Monoisotopic Mass: 1.3
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]+	284.052196	160.4
[M+Na]+	306.034138	167.7
[M-H]-	282.037644	165.1
[M+NH4]+	301.078743	176.7
[M+K]+	322.008078	162.4
[M+H-H2O]+	266.042180	153.6
[M+HCOO]-	328.043121	172.6
[M+CH3COO]-	342.058771	199.9
[M+Na-2H]-	304.019586	158.4
[M]+	283.04437142	159.8
[M]-	283.04546858	159.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.