CID 3080515

128487-69-4

Structural Information

Molecular Formula
C14H24N2O4S2
SMILES
CC(C12CC3CC(C1)CC(C3)(C2)O)N=C(CSS(=O)(=O)O)N
InChI
InChI=1S/C14H24N2O4S2/c1-9(16-12(15)7-21-22(18,19)20)13-3-10-2-11(4-13)6-14(17,5-10)8-13/h9-11,17H,2-8H2,1H3,(H2,15,16)(H,18,19,20)
InChIKey
UXMNLWXMEQMKAH-UHFFFAOYSA-N
Compound name
1-[1-[(1-amino-2-sulfosulfanylethylidene)amino]ethyl]-3-hydroxyadamantane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.11774 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.12502 174.6
[M+Na]+ 371.10696 173.4
[M-H]- 347.11046 164.2
[M+NH4]+ 366.15156 194.4
[M+K]+ 387.08090 171.8
[M+H-H2O]+ 331.11500 172.0
[M+HCOO]- 393.11594 168.0
[M+CH3COO]- 407.13159 215.4
[M+Na-2H]- 369.09241 187.6
[M]+ 348.11719 178.4
[M]- 348.11829 178.4
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.