CID 3005934

1-(cyclohexanecarbonylamino)-3-(2,4-dichlorophenyl)thiourea

Structural Information

Molecular Formula
C14H17Cl2N3OS
SMILES
C1CCC(CC1)C(=O)NNC(=S)NC2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C14H17Cl2N3OS/c15-10-6-7-12(11(16)8-10)17-14(21)19-18-13(20)9-4-2-1-3-5-9/h6-9H,1-5H2,(H,18,20)(H2,17,19,21)
InChIKey
OVLNJEVSSLCBNK-UHFFFAOYSA-N
Compound name
1-(cyclohexanecarbonylamino)-3-(2,4-dichlorophenyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

345.04694 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.05422 176.1
[M+Na]+ 368.03616 180.2
[M-H]- 344.03966 181.1
[M+NH4]+ 363.08076 190.1
[M+K]+ 384.01010 173.4
[M+H-H2O]+ 328.04420 170.5
[M+HCOO]- 390.04514 183.1
[M+CH3COO]- 404.06079 211.5
[M+Na-2H]- 366.02161 175.3
[M]+ 345.04639 173.9
[M]- 345.04749 173.9
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.