CID 9589303

126826-77-5

Structural Information

Molecular Formula
C14H26N4O2S
SMILES
CN1/C(=N/S(=O)(=O)/N=C\2/N(CCCCC2)C)/CCCCC1
InChI
InChI=1S/C14H26N4O2S/c1-17-11-7-3-5-9-13(17)15-21(19,20)16-14-10-6-4-8-12-18(14)2/h3-12H2,1-2H3/b15-13+,16-14+
InChIKey
CLZWGDBXUVFMRD-WXUKJITCSA-N
Compound name
(E)-1-methyl-N-[(E)-(1-methylazepan-2-ylidene)amino]sulfonylazepan-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.17764 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.18492 186.2
[M+Na]+ 337.16686 189.0
[M+NH4]+ 332.21146 189.7
[M+K]+ 353.14080 185.3
[M-H]- 313.17036 187.1
[M+Na-2H]- 335.15231 187.6
[M]+ 314.17709 186.9
[M]- 314.17819 186.9
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.