CID 4234362

303090-88-2

Structural Information

Molecular Formula
C11H14N4O3S
SMILES
CNC(=S)NNC(=O)CNC1=CC2=C(C=C1)OCO2
InChI
InChI=1S/C11H14N4O3S/c1-12-11(19)15-14-10(16)5-13-7-2-3-8-9(4-7)18-6-17-8/h2-4,13H,5-6H2,1H3,(H,14,16)(H2,12,15,19)
InChIKey
YYEKBITUKLJQBM-UHFFFAOYSA-N
Compound name
1-[[2-(1,3-benzodioxol-5-ylamino)acetyl]amino]-3-methylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.07867 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.08595 164.6
[M+Na]+ 305.06789 170.3
[M+NH4]+ 300.11249 170.7
[M+K]+ 321.04183 167.0
[M-H]- 281.07139 169.0
[M+Na-2H]- 303.05334 166.1
[M]+ 282.07812 166.5
[M]- 282.07922 166.5
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.