CID 10266141

Aglaidithioduline

Structural Information

Molecular Formula
C12H20N2O2S2
SMILES
CS/C=C/C(=O)NCCCCNC(=O)/C=C/SC
InChI
InChI=1S/C12H20N2O2S2/c1-17-9-5-11(15)13-7-3-4-8-14-12(16)6-10-18-2/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,13,15)(H,14,16)/b9-5+,10-6+
InChIKey
SOZZFXSEKXBXFS-NXZHAISVSA-N
Compound name
(E)-3-methylsulfanyl-N-[4-[[(E)-3-methylsulfanylprop-2-enoyl]amino]butyl]prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

288.09662 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.10390 166.8
[M+Na]+ 311.08584 169.9
[M-H]- 287.08934 165.3
[M+NH4]+ 306.13044 182.0
[M+K]+ 327.05978 164.2
[M+H-H2O]+ 271.09388 159.4
[M+HCOO]- 333.09482 177.9
[M+CH3COO]- 347.11047 202.6
[M+Na-2H]- 309.07129 164.2
[M]+ 288.09607 169.4
[M]- 288.09717 169.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.