CID 64279

30771-86-9

Structural Information

Molecular Formula
C15H26N2O4S2
SMILES
CC(CN=C(CSS(=O)(=O)O)N)OC12CC3CC(C1)CC(C3)C2
InChI
InChI=1S/C15H26N2O4S2/c1-10(8-17-14(16)9-22-23(18,19)20)21-15-5-11-2-12(6-15)4-13(3-11)7-15/h10-13H,2-9H2,1H3,(H2,16,17)(H,18,19,20)
InChIKey
UCDWLIXRVZBBKA-UHFFFAOYSA-N
Compound name
1-[1-[(1-amino-2-sulfosulfanylethylidene)amino]propan-2-yloxy]adamantane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.1334 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.14068 171.7
[M+Na]+ 385.12262 174.1
[M+NH4]+ 380.16722 180.9
[M+K]+ 401.09656 165.4
[M-H]- 361.12612 166.8
[M+Na-2H]- 383.10807 167.7
[M]+ 362.13285 171.3
[M]- 362.13395 171.3
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.