CID 3033143

Rd1519

Structural Information

Molecular Formula
C9H11N3OS2
SMILES
COC1=CC=CC=C1NC(=S)NC(=S)N
InChI
InChI=1S/C9H11N3OS2/c1-13-7-5-3-2-4-6(7)11-9(15)12-8(10)14/h2-5H,1H3,(H4,10,11,12,14,15)
InChIKey
ZIBFYLCVVBWTIO-UHFFFAOYSA-N
Compound name
1-carbamothioyl-3-(2-methoxyphenyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.03435 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.04163 149.5
[M+Na]+ 264.02357 155.1
[M-H]- 240.02707 151.9
[M+NH4]+ 259.06817 166.1
[M+K]+ 279.99751 149.6
[M+H-H2O]+ 224.03161 142.3
[M+HCOO]- 286.03255 163.0
[M+CH3COO]- 300.04820 195.2
[M+Na-2H]- 262.00902 150.1
[M]+ 241.03380 147.6
[M]- 241.03490 147.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.