CID 218166

40283-84-9

Structural Information

Molecular Formula
C15H28N2O4S2
SMILES
CC1(C2CCC1([C@H](C2)OCCCN=C(COS(=O)(=S)O)N)C)C
InChI
InChI=1S/C15H28N2O4S2/c1-14(2)11-5-6-15(14,3)12(9-11)20-8-4-7-17-13(16)10-21-23(18,19)22/h11-12H,4-10H2,1-3H3,(H2,16,17)(H,18,19,22)/t11?,12-,15?/m0/s1
InChIKey
TZWBNVVTNBUDMU-AVERBVTBSA-N
Compound name
2-hydroxysulfonothioyloxy-N'-[3-[[(2S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]propyl]ethanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.14905 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.15633 182.8
[M+Na]+ 387.13827 184.3
[M+NH4]+ 382.18287 190.7
[M+K]+ 403.11221 177.7
[M-H]- 363.14177 180.1
[M+Na-2H]- 385.12372 183.2
[M]+ 364.14850 182.8
[M]- 364.14960 182.8
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.