CID 376509

Nsc657450

Structural Information

Molecular Formula
C14H16N2S2
SMILES
C=CCN(CC=C)CN1C2=CC=CC=C2SC1=S
InChI
InChI=1S/C14H16N2S2/c1-3-9-15(10-4-2)11-16-12-7-5-6-8-13(12)18-14(16)17/h3-8H,1-2,9-11H2
InChIKey
ULYGKMLLNPMDMK-UHFFFAOYSA-N
Compound name
3-[[bis(prop-2-enyl)amino]methyl]-1,3-benzothiazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.0755 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.08278 160.3
[M+Na]+ 299.06472 170.8
[M-H]- 275.06822 165.2
[M+NH4]+ 294.10932 179.8
[M+K]+ 315.03866 164.2
[M+H-H2O]+ 259.07276 154.0
[M+HCOO]- 321.07370 175.2
[M+CH3COO]- 335.08935 202.3
[M+Na-2H]- 297.05017 160.8
[M]+ 276.07495 166.1
[M]- 276.07605 166.1
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.