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 178.1
[M+Na]+ 385.12262 175.9
[M-H]- 361.12612 168.9
[M+NH4]+ 380.16722 196.2
[M+K]+ 401.09656 174.7
[M+H-H2O]+ 345.13066 174.7
[M+HCOO]- 407.13160 172.9
[M+CH3COO]- 421.14725 220.6
[M+Na-2H]- 383.10807 189.4
[M]+ 362.13285 183.2
[M]- 362.13395 183.2
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.