CID 303806

Nsc193488

Structural Information

Molecular Formula
C34H58N4S4
SMILES
C1C2CC3CC1CC(C2)(C3)SCCCCCN=C(CSSCC(=NCCCCCSC45CC6CC(C4)CC(C6)C5)N)N
InChI
InChI=1S/C34H58N4S4/c35-31(37-7-3-1-5-9-39-33-17-25-11-26(18-33)13-27(12-25)19-33)23-41-42-24-32(36)38-8-4-2-6-10-40-34-20-28-14-29(21-34)16-30(15-28)22-34/h25-30H,1-24H2,(H2,35,37)(H2,36,38)
InChIKey
OKRVHMGGALTHCH-UHFFFAOYSA-N
Compound name
N'-[5-(1-adamantylsulfanyl)pentyl]-2-[[2-[5-(1-adamantylsulfanyl)pentylimino]-2-aminoethyl]disulfanyl]ethanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

650.35443 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 651.36171 197.8
[M+Na]+ 673.34365 181.7
[M-H]- 649.34715 176.5
[M+NH4]+ 668.38825 206.2
[M+K]+ 689.31759 179.5
[M+H-H2O]+ 633.35169 190.3
[M+HCOO]- 695.35263 171.2
[M+CH3COO]- 709.36828 190.2
[M+Na-2H]- 671.32910 215.9
[M]+ 650.35388 199.1
[M]- 650.35498 199.1
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.