CID 6864440

2-(1,3-benzothiazol-2-ylsulfanyl)-n'-[(e)-(4-chloro-3-nitrophenyl)methylidene]acetohydrazide

Structural Information

Molecular Formula
C16H11ClN4O3S2
SMILES
C1=CC=C2C(=C1)N=C(S2)SCC(=O)N/N=C/C3=CC(=C(C=C3)Cl)[N+](=O)[O-]
InChI
InChI=1S/C16H11ClN4O3S2/c17-11-6-5-10(7-13(11)21(23)24)8-18-20-15(22)9-25-16-19-12-3-1-2-4-14(12)26-16/h1-8H,9H2,(H,20,22)/b18-8+
InChIKey
OHXMGJAJYGGZCB-QGMBQPNBSA-N
Compound name
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

405.99612 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.00340 182.2
[M+Na]+ 428.98534 195.2
[M+NH4]+ 424.02994 190.1
[M+K]+ 444.95928 188.1
[M-H]- 404.98884 188.2
[M+Na-2H]- 426.97079 189.6
[M]+ 405.99557 186.7
[M]- 405.99667 186.7
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.