CID 3328994

Nsc321206

Structural Information

Molecular Formula
C13H12N4S2
SMILES
CSC(=S)NN=C(C1=CC=CC=N1)C2=CC=CC=N2
InChI
InChI=1S/C13H12N4S2/c1-19-13(18)17-16-12(10-6-2-4-8-14-10)11-7-3-5-9-15-11/h2-9H,1H3,(H,17,18)
InChIKey
ITTZCLOWGTWIRZ-UHFFFAOYSA-N
Compound name
methyl N-(dipyridin-2-ylmethylideneamino)carbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

288.05035 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.05763 160.7
[M+Na]+ 311.03957 167.6
[M-H]- 287.04307 165.4
[M+NH4]+ 306.08417 174.1
[M+K]+ 327.01351 161.1
[M+H-H2O]+ 271.04761 151.8
[M+HCOO]- 333.04855 173.8
[M+CH3COO]- 347.06420 171.0
[M+Na-2H]- 309.02502 164.1
[M]+ 288.04980 160.9
[M]- 288.05090 160.9
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.