CID 72498

71085-96-6

Structural Information

Molecular Formula
C22H17N5OS4
SMILES
C1=CC=C2C(=C1)N(C(=S)S2)CN(CN3C4=CC=CC=C4SC3=S)NC(=O)C5=CC=NC=C5
InChI
InChI=1S/C22H17N5OS4/c28-20(15-9-11-23-12-10-15)24-25(13-26-16-5-1-3-7-18(16)31-21(26)29)14-27-17-6-2-4-8-19(17)32-22(27)30/h1-12H,13-14H2,(H,24,28)
InChIKey
FKYOAWYFVZWIKO-UHFFFAOYSA-N
Compound name
N',N'-bis[(2-sulfanylidene-1,3-benzothiazol-3-yl)methyl]pyridine-4-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

495.0316 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 496.03888 194.3
[M+Na]+ 518.02082 207.7
[M+NH4]+ 513.06542 202.4
[M+K]+ 533.99476 196.4
[M-H]- 494.02432 201.0
[M+Na-2H]- 516.00627 202.6
[M]+ 495.03105 199.9
[M]- 495.03215 199.9
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

patents stripe