CID 11979901

Nsc621979

Structural Information

Molecular Formula
C15H11N5S4
SMILES
C1=CC=C2C(=C1)N=C(S2)NN(C(=S)S)NC3=NC4=CC=CC=C4S3
InChI
InChI=1S/C15H11N5S4/c21-15(22)20(18-13-16-9-5-1-3-7-11(9)23-13)19-14-17-10-6-2-4-8-12(10)24-14/h1-8H,(H,16,18)(H,17,19)(H,21,22)
InChIKey
KVYFFLMDYTWMFA-UHFFFAOYSA-N
Compound name
bis(1,3-benzothiazol-2-ylamino)carbamodithioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.98972 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.99700 177.8
[M+Na]+ 411.97894 190.5
[M-H]- 387.98244 184.0
[M+NH4]+ 407.02354 193.1
[M+K]+ 427.95288 181.4
[M+H-H2O]+ 371.98698 173.9
[M+HCOO]- 433.98792 184.3
[M+CH3COO]- 448.00357 187.9
[M+Na-2H]- 409.96439 184.4
[M]+ 388.98917 181.6
[M]- 388.99027 181.6
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.