CID 162610

N,n'-bis(cyclohexylthio)oxanilide

Structural Information

Molecular Formula
C26H32N2O2S2
SMILES
C1CCC(CC1)SN(C2=CC=CC=C2)C(=O)C(=O)N(C3=CC=CC=C3)SC4CCCCC4
InChI
InChI=1S/C26H32N2O2S2/c29-25(27(21-13-5-1-6-14-21)31-23-17-9-3-10-18-23)26(30)28(22-15-7-2-8-16-22)32-24-19-11-4-12-20-24/h1-2,5-8,13-16,23-24H,3-4,9-12,17-20H2
InChIKey
HNZLXKJYWMUSSU-UHFFFAOYSA-N
Compound name
N,N'-bis(cyclohexylsulfanyl)-N,N'-diphenyloxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

468.19052 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.197796 207.5
[M+Na]+ 491.179738 204.3
[M-H]- 467.183244 217.6
[M+NH4]+ 486.224343 214.7
[M+K]+ 507.153678 199.8
[M+H-H2O]+ 451.187780 196.9
[M+HCOO]- 513.188721 213.4
[M+CH3COO]- 527.204371 212.1
[M+Na-2H]- 489.165186 204.5
[M]+ 468.18997142 201.5
[M]- 468.19106858 201.5
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