CID 306638

1-(4-(methylthio)phenyl)urea

Structural Information

Molecular Formula
C8H10N2OS
SMILES
CSC1=CC=C(C=C1)NC(=O)N
InChI
InChI=1S/C8H10N2OS/c1-12-7-4-2-6(3-5-7)10-8(9)11/h2-5H,1H3,(H3,9,10,11)
InChIKey
NPIVWQBEIBMEOI-UHFFFAOYSA-N
Compound name
(4-methylsulfanylphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

182.05139 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.058666 136.6
[M+Na]+ 205.040608 143.8
[M-H]- 181.044114 140.1
[M+NH4]+ 200.085213 156.3
[M+K]+ 221.014548 140.7
[M+H-H2O]+ 165.048650 130.4
[M+HCOO]- 227.049591 156.8
[M+CH3COO]- 241.065241 183.7
[M+Na-2H]- 203.026056 139.9
[M]+ 182.05084142 136.1
[M]- 182.05193858 136.1
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

patents stripe