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 176.8
[M+Na]+ 370.06545 181.6
[M-H]- 346.06895 182.4
[M+NH4]+ 365.11005 189.4
[M+K]+ 386.03939 175.1
[M+H-H2O]+ 330.07349 168.2
[M+HCOO]- 392.07443 190.9
[M+CH3COO]- 406.09008 214.8
[M+Na-2H]- 368.05090 178.1
[M]+ 347.07568 177.8
[M]- 347.07678 177.8
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.