CID 825369

3955-58-6

Structural Information

Molecular Formula
C9H12N2S
SMILES
CCN(C1=CC=CC=C1)C(=S)N
InChI
InChI=1S/C9H12N2S/c1-2-11(9(10)12)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H2,10,12)
InChIKey
XVNPNGPNQJUMSL-UHFFFAOYSA-N
Compound name
1-ethyl-1-phenylthiourea
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

199
Patents

180.07211 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.079386 138.4
[M+Na]+ 203.061328 144.5
[M-H]- 179.064834 142.9
[M+NH4]+ 198.105933 158.6
[M+K]+ 219.035268 142.2
[M+H-H2O]+ 163.069370 131.7
[M+HCOO]- 225.070311 158.4
[M+CH3COO]- 239.085961 186.9
[M+Na-2H]- 201.046776 141.0
[M]+ 180.07156142 137.7
[M]- 180.07265858 137.7
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

patents stripe