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

1
Patents

468.19052 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.19780 207.5
[M+Na]+ 491.17974 204.3
[M-H]- 467.18324 217.6
[M+NH4]+ 486.22434 214.7
[M+K]+ 507.15368 199.8
[M+H-H2O]+ 451.18778 196.9
[M+HCOO]- 513.18872 213.4
[M+CH3COO]- 527.20437 212.1
[M+Na-2H]- 489.16519 204.5
[M]+ 468.18997 201.5
[M]- 468.19107 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