CID 9589302

Bis(1-methyl-2-piperidinylidene)sulfamide

Structural Information

Molecular Formula
C12H22N4O2S
SMILES
CN1/C(=N/S(=O)(=O)/N=C\2/N(CCCC2)C)/CCCC1
InChI
InChI=1S/C12H22N4O2S/c1-15-9-5-3-7-11(15)13-19(17,18)14-12-8-4-6-10-16(12)2/h3-10H2,1-2H3/b13-11+,14-12+
InChIKey
ITHPXXBUWGBHHR-PHEQNACWSA-N
Compound name
(E)-1-methyl-N-[(E)-(1-methylpiperidin-2-ylidene)amino]sulfonylpiperidin-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.14636 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.15364 166.1
[M+Na]+ 309.13558 170.0
[M-H]- 285.13908 171.2
[M+NH4]+ 304.18018 179.9
[M+K]+ 325.10952 167.3
[M+H-H2O]+ 269.14362 157.2
[M+HCOO]- 331.14456 179.3
[M+CH3COO]- 345.16021 204.6
[M+Na-2H]- 307.12103 167.9
[M]+ 286.14581 161.7
[M]- 286.14691 161.7
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.