CID 853771

1-cyclohexyl-1-methyl-3-phenyl-2-thiourea

Structural Information

Molecular Formula
C14H20N2S
SMILES
CN(C1CCCCC1)C(=S)NC2=CC=CC=C2
InChI
InChI=1S/C14H20N2S/c1-16(13-10-6-3-7-11-13)14(17)15-12-8-4-2-5-9-12/h2,4-5,8-9,13H,3,6-7,10-11H2,1H3,(H,15,17)
InChIKey
CAVLDGJVMTVLQJ-UHFFFAOYSA-N
Compound name
1-cyclohexyl-1-methyl-3-phenylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

248.13472 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.14200 156.9
[M+Na]+ 271.12394 159.3
[M-H]- 247.12744 163.5
[M+NH4]+ 266.16854 174.1
[M+K]+ 287.09788 156.2
[M+H-H2O]+ 231.13198 149.0
[M+HCOO]- 293.13292 173.4
[M+CH3COO]- 307.14857 198.6
[M+Na-2H]- 269.10939 158.2
[M]+ 248.13417 152.4
[M]- 248.13527 152.4
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