CID 3061279

Brn 4526343

Structural Information

Molecular Formula
C15H12ClN3O2S
SMILES
C1C(=NC2=C(S1)C=C(C=C2)Cl)NNC(=O)C3=CC=CC=C3O
InChI
InChI=1S/C15H12ClN3O2S/c16-9-5-6-11-13(7-9)22-8-14(17-11)18-19-15(21)10-3-1-2-4-12(10)20/h1-7,20H,8H2,(H,17,18)(H,19,21)
InChIKey
HEPPAOWGVFJJMZ-UHFFFAOYSA-N
Compound name
N'-(7-chloro-2H-1,4-benzothiazin-3-yl)-2-hydroxybenzohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.03387 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.04115 170.6
[M+Na]+ 356.02309 184.3
[M+NH4]+ 351.06769 179.2
[M+K]+ 371.99703 174.8
[M-H]- 332.02659 175.7
[M+Na-2H]- 354.00854 178.6
[M]+ 333.03332 174.7
[M]- 333.03442 174.7
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.