CID 3785334

Nsc661097

Structural Information

Molecular Formula
C14H11ClN4O4S2
SMILES
CC1=CC2=C(C=C1Cl)SC(=NS2(=O)=O)NNC3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C14H11ClN4O4S2/c1-8-6-13-12(7-11(8)15)24-14(18-25(13,22)23)17-16-9-2-4-10(5-3-9)19(20)21/h2-7,16H,1H3,(H,17,18)
InChIKey
OYSJSPVELGTYQZ-UHFFFAOYSA-N
Compound name
1-(6-chloro-7-methyl-1,1-dioxo-1lambda6,4,2-benzodithiazin-3-yl)-2-(4-nitrophenyl)hydrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

397.99103 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.99831 175.3
[M+Na]+ 420.98025 182.8
[M-H]- 396.98375 180.8
[M+NH4]+ 416.02485 187.5
[M+K]+ 436.95419 171.8
[M+H-H2O]+ 380.98829 173.1
[M+HCOO]- 442.98923 184.6
[M+CH3COO]- 457.00488 212.8
[M+Na-2H]- 418.96570 184.0
[M]+ 397.99048 177.3
[M]- 397.99158 177.3
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.