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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.05220 160.4
[M+Na]+ 306.03414 167.7
[M-H]- 282.03764 165.1
[M+NH4]+ 301.07874 176.7
[M+K]+ 322.00808 162.4
[M+H-H2O]+ 266.04218 153.6
[M+HCOO]- 328.04312 172.6
[M+CH3COO]- 342.05877 199.9
[M+Na-2H]- 304.01959 158.4
[M]+ 283.04437 159.8
[M]- 283.04547 159.8
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

No patent data available for this compound.