CID 94725

Phosphorothioic triamide, n,n',n''-tricyclohexyl-

Structural Information

Molecular Formula
C18H36N3PS
SMILES
C1CCC(CC1)NP(=S)(NC2CCCCC2)NC3CCCCC3
InChI
InChI=1S/C18H36N3PS/c23-22(19-16-10-4-1-5-11-16,20-17-12-6-2-7-13-17)21-18-14-8-3-9-15-18/h16-18H,1-15H2,(H3,19,20,21,23)
InChIKey
ASZVXDWROMKLGR-UHFFFAOYSA-N
Compound name
N-bis(cyclohexylamino)phosphinothioylcyclohexanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

357.23676 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.24404 176.7
[M+Na]+ 380.22598 171.4
[M-H]- 356.22948 180.3
[M+NH4]+ 375.27058 187.8
[M+K]+ 396.19992 167.0
[M+H-H2O]+ 340.23402 165.3
[M+HCOO]- 402.23496 190.3
[M+CH3COO]- 416.25061 218.4
[M+Na-2H]- 378.21143 173.4
[M]+ 357.23621 162.0
[M]- 357.23731 162.0
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