CID 3061280

Brn 4525315

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.03387 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.04115 169.0
[M+Na]+ 356.02309 177.0
[M-H]- 332.02659 174.0
[M+NH4]+ 351.06769 182.7
[M+K]+ 371.99703 170.2
[M+H-H2O]+ 316.03113 162.0
[M+HCOO]- 378.03207 180.7
[M+CH3COO]- 392.04772 179.2
[M+Na-2H]- 354.00854 173.9
[M]+ 333.03332 170.3
[M]- 333.03442 170.3
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.