CID 374721

Nsc652913

Structural Information

Molecular Formula
C15H10ClN3O2S
SMILES
C1=CC=C2C(=C1)C(=NS2)C(=O)NNC(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C15H10ClN3O2S/c16-10-7-5-9(6-8-10)14(20)17-18-15(21)13-11-3-1-2-4-12(11)22-19-13/h1-8H,(H,17,20)(H,18,21)
InChIKey
QLUNKAAZTFUVIC-UHFFFAOYSA-N
Compound name
N'-(4-chlorobenzoyl)-1,2-benzothiazole-3-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.01822 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.02550 171.6
[M+Na]+ 354.00744 181.3
[M-H]- 330.01094 179.0
[M+NH4]+ 349.05204 187.9
[M+K]+ 369.98138 175.1
[M+H-H2O]+ 314.01548 164.9
[M+HCOO]- 376.01642 187.7
[M+CH3COO]- 390.03207 183.4
[M+Na-2H]- 351.99289 175.4
[M]+ 331.01767 176.8
[M]- 331.01877 176.8
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.