CID 378500

Nsc661100

Structural Information

Molecular Formula
C14H11ClN4O3S2
SMILES
CC1=CC2=C(C=C1Cl)SC(=NS2(=O)=O)NNC(=O)C3=CC=NC=C3
InChI
InChI=1S/C14H11ClN4O3S2/c1-8-6-12-11(7-10(8)15)23-14(19-24(12,21)22)18-17-13(20)9-2-4-16-5-3-9/h2-7H,1H3,(H,17,20)(H,18,19)
InChIKey
CPJRIBKNVNGRPN-UHFFFAOYSA-N
Compound name
N'-(6-chloro-7-methyl-1,1-dioxo-1lambda6,4,2-benzodithiazin-3-yl)pyridine-4-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.99612 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.00340 175.3
[M+Na]+ 404.98534 185.7
[M-H]- 380.98884 180.3
[M+NH4]+ 400.02994 188.6
[M+K]+ 420.95928 178.5
[M+H-H2O]+ 364.99338 169.0
[M+HCOO]- 426.99432 182.5
[M+CH3COO]- 441.00997 185.3
[M+Na-2H]- 402.97079 181.5
[M]+ 381.99557 180.0
[M]- 381.99667 180.0
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.