CID 3005198

Nsc681628

Structural Information

Molecular Formula
C14H22N6OS3
SMILES
CCNC(=S)NNC(=O)C1=CSC(=N1)NC(=S)NC2CCCCC2
InChI
InChI=1S/C14H22N6OS3/c1-2-15-12(22)20-19-11(21)10-8-24-14(17-10)18-13(23)16-9-6-4-3-5-7-9/h8-9H,2-7H2,1H3,(H,19,21)(H2,15,20,22)(H2,16,17,18,23)
InChIKey
IHSODJFLMAGOIR-UHFFFAOYSA-N
Compound name
1-cyclohexyl-3-[4-[(ethylcarbamothioylamino)carbamoyl]-1,3-thiazol-2-yl]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.1017 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.10898 179.6
[M+Na]+ 409.09092 180.3
[M-H]- 385.09442 181.4
[M+NH4]+ 404.13552 190.0
[M+K]+ 425.06486 172.8
[M+H-H2O]+ 369.09896 171.3
[M+HCOO]- 431.09990 184.4
[M+CH3COO]- 445.11555 222.9
[M+Na-2H]- 407.07637 179.7
[M]+ 386.10115 172.8
[M]- 386.10225 172.8
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.