CID 64344

40283-75-8

Structural Information

Molecular Formula
C17H30N2O3S2
SMILES
C1C2CC3CC1CC(C2)(C3)CCCCCN=C(CSS(=O)(=O)O)N
InChI
InChI=1S/C17H30N2O3S2/c18-16(12-23-24(20,21)22)19-5-3-1-2-4-17-9-13-6-14(10-17)8-15(7-13)11-17/h13-15H,1-12H2,(H2,18,19)(H,20,21,22)
InChIKey
OEHZIGKZOYCZRG-UHFFFAOYSA-N
Compound name
1-[5-[(1-amino-2-sulfosulfanylethylidene)amino]pentyl]adamantane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.1698 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.17708 182.9
[M+Na]+ 397.15902 180.5
[M-H]- 373.16252 173.5
[M+NH4]+ 392.20362 200.7
[M+K]+ 413.13296 177.7
[M+H-H2O]+ 357.16706 178.8
[M+HCOO]- 419.16800 178.0
[M+CH3COO]- 433.18365 223.2
[M+Na-2H]- 395.14447 193.5
[M]+ 374.16925 187.6
[M]- 374.17035 187.6
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.