CID 162345248

Ns00132929

Structural Information

Molecular Formula
C14H9ClN4S2
SMILES
C1=CC=C2C(=C1)N=C(S2)NNC3=NC4=C(S3)C=C(C=C4)Cl
InChI
InChI=1S/C14H9ClN4S2/c15-8-5-6-10-12(7-8)21-14(17-10)19-18-13-16-9-3-1-2-4-11(9)20-13/h1-7H,(H,16,18)(H,17,19)
InChIKey
JTUMEARFVBNZLS-UHFFFAOYSA-N
Compound name
1-(1,3-benzothiazol-2-yl)-2-(6-chloro-1,3-benzothiazol-2-yl)hydrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.99573 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.003006 166.0
[M+Na]+ 354.984948 180.9
[M-H]- 330.988454 174.1
[M+NH4]+ 350.029553 185.2
[M+K]+ 370.958888 173.1
[M+H-H2O]+ 314.992990 161.2
[M+HCOO]- 376.993931 179.6
[M+CH3COO]- 391.009581 179.3
[M+Na-2H]- 352.970396 171.3
[M]+ 331.99518142 174.6
[M]- 331.99627858 174.6
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.