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 181.5
[M+Na]+ 387.13827 186.4
[M-H]- 363.14177 181.7
[M+NH4]+ 382.18287 202.5
[M+K]+ 403.11221 183.2
[M+H-H2O]+ 347.14631 179.6
[M+HCOO]- 409.14725 189.7
[M+CH3COO]- 423.16290 214.3
[M+Na-2H]- 385.12372 184.1
[M]+ 364.14850 187.0
[M]- 364.14960 187.0
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.