CID 3033150

Rd1749

Structural Information

Molecular Formula
C16H17N3O2S2
SMILES
COC1=CC=C(C=C1)NC(=S)NC(=S)NC2=CC=C(C=C2)OC
InChI
InChI=1S/C16H17N3O2S2/c1-20-13-7-3-11(4-8-13)17-15(22)19-16(23)18-12-5-9-14(21-2)10-6-12/h3-10H,1-2H3,(H3,17,18,19,22,23)
InChIKey
HLWWYMAJDJWZCV-UHFFFAOYSA-N
Compound name
1-(4-methoxyphenyl)-3-[(4-methoxyphenyl)carbamothioyl]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.07623 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.08351 175.5
[M+Na]+ 370.06545 184.7
[M+NH4]+ 365.11005 182.7
[M+K]+ 386.03939 175.2
[M-H]- 346.06895 180.4
[M+Na-2H]- 368.05090 182.4
[M]+ 347.07568 178.8
[M]- 347.07678 178.8
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.