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 180.5
[M+Na]+ 337.16686 182.4
[M-H]- 313.17036 187.1
[M+NH4]+ 332.21146 190.4
[M+K]+ 353.14080 185.5
[M+H-H2O]+ 297.17490 170.9
[M+HCOO]- 359.17584 191.0
[M+CH3COO]- 373.19149 215.8
[M+Na-2H]- 335.15231 179.3
[M]+ 314.17709 172.1
[M]- 314.17819 172.1
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.