CID 3033144

Rd1145

Structural Information

Molecular Formula
C9H11N3OS2
SMILES
COC1=CC=C(C=C1)NC(=S)NC(=S)N
InChI
InChI=1S/C9H11N3OS2/c1-13-7-4-2-6(3-5-7)11-9(15)12-8(10)14/h2-5H,1H3,(H4,10,11,12,14,15)
InChIKey
HWODISAUIHCFDB-UHFFFAOYSA-N
Compound name
1-carbamothioyl-3-(4-methoxyphenyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.03435 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.04163 149.5
[M+Na]+ 264.02357 157.0
[M+NH4]+ 259.06817 157.0
[M+K]+ 279.99751 149.0
[M-H]- 240.02707 152.1
[M+Na-2H]- 262.00902 153.8
[M]+ 241.03380 151.8
[M]- 241.03490 151.8
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.