CID 5807551

Dtxsid20444568

Structural Information

Molecular Formula
C15H15N3S2
SMILES
C/C(=N/NC(=S)SCC1=CC=CC=C1)/C2=CC=CC=N2
InChI
InChI=1S/C15H15N3S2/c1-12(14-9-5-6-10-16-14)17-18-15(19)20-11-13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,18,19)/b17-12-
InChIKey
GAPPGYVPJUGIHP-ATVHPVEESA-N
Compound name
benzyl N-[(Z)-1-pyridin-2-ylethylideneamino]carbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.07074 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.07802 165.7
[M+Na]+ 324.05996 171.6
[M-H]- 300.06346 171.4
[M+NH4]+ 319.10456 179.9
[M+K]+ 340.03390 165.0
[M+H-H2O]+ 284.06800 157.1
[M+HCOO]- 346.06894 179.4
[M+CH3COO]- 360.08459 206.0
[M+Na-2H]- 322.04541 168.1
[M]+ 301.07019 166.2
[M]- 301.07129 166.2
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

patents stripe