CID 3061282

Brn 4715524

Structural Information

Molecular Formula
C15H10Cl3N3OS
SMILES
C1C(=NC2=C(S1)C=C(C=C2)Cl)NNC(=O)C3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C15H10Cl3N3OS/c16-8-1-3-10(11(18)5-8)15(22)21-20-14-7-23-13-6-9(17)2-4-12(13)19-14/h1-6H,7H2,(H,19,20)(H,21,22)
InChIKey
YVWHWENKAZTKTF-UHFFFAOYSA-N
Compound name
2,4-dichloro-N'-(7-chloro-2H-1,4-benzothiazin-3-yl)benzohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.96103 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.96831 177.3
[M+Na]+ 407.95025 186.8
[M-H]- 383.95375 182.1
[M+NH4]+ 402.99485 190.6
[M+K]+ 423.92419 179.4
[M+H-H2O]+ 367.95829 171.9
[M+HCOO]- 429.95923 180.0
[M+CH3COO]- 443.97488 186.8
[M+Na-2H]- 405.93570 179.9
[M]+ 384.96048 181.1
[M]- 384.96158 181.1
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.