CID 5746531

Brn 4715248

Structural Information

Molecular Formula
C15H11ClN4O3S
SMILES
C1C(=NC2=C(S1)C=C(C=C2)Cl)NNC(=O)C3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C15H11ClN4O3S/c16-10-3-6-12-13(7-10)24-8-14(17-12)18-19-15(21)9-1-4-11(5-2-9)20(22)23/h1-7H,8H2,(H,17,18)(H,19,21)
InChIKey
XQZCKKBAVLPAFS-UHFFFAOYSA-N
Compound name
N'-(7-chloro-2H-1,4-benzothiazin-3-yl)-4-nitrobenzohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.02405 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.03133 172.1
[M+Na]+ 385.01327 186.0
[M+NH4]+ 380.05787 180.2
[M+K]+ 400.98721 179.4
[M-H]- 361.01677 178.5
[M+Na-2H]- 382.99872 180.3
[M]+ 362.02350 176.4
[M]- 362.02460 176.4
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.