CID 378501

Nsc661101

Structural Information

Molecular Formula
C15H12ClN3O3S2
SMILES
CC1=CC2=C(C=C1Cl)SC(=NS2(=O)=O)NNC(=O)C3=CC=CC=C3
InChI
InChI=1S/C15H12ClN3O3S2/c1-9-7-13-12(8-11(9)16)23-15(19-24(13,21)22)18-17-14(20)10-5-3-2-4-6-10/h2-8H,1H3,(H,17,20)(H,18,19)
InChIKey
WFWOCBJXJZWHOJ-UHFFFAOYSA-N
Compound name
N'-(6-chloro-7-methyl-1,1-dioxo-1lambda6,4,2-benzodithiazin-3-yl)benzohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.00085 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.00813 176.2
[M+Na]+ 403.99007 186.1
[M-H]- 379.99357 182.3
[M+NH4]+ 399.03467 190.8
[M+K]+ 419.96401 178.9
[M+H-H2O]+ 363.99811 170.3
[M+HCOO]- 425.99905 184.3
[M+CH3COO]- 440.01470 186.5
[M+Na-2H]- 401.97552 181.8
[M]+ 381.00030 180.9
[M]- 381.00140 180.9
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.