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

No literature data available for this compound.

Patent stripe

patents stripe