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 173.0
[M+Na]+ 385.01327 178.5
[M-H]- 361.01677 178.7
[M+NH4]+ 380.05787 184.6
[M+K]+ 400.98721 168.6
[M+H-H2O]+ 345.02131 169.7
[M+HCOO]- 407.02225 186.6
[M+CH3COO]- 421.03790 207.7
[M+Na-2H]- 382.99872 180.1
[M]+ 362.02350 172.7
[M]- 362.02460 172.7
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.