CID 378498

Nsc661098

Structural Information

Molecular Formula
C11H12ClN5O2S2
SMILES
CC1=CC2=C(C=C1Cl)SC(=NS2(=O)=O)NNC3=NCCN3
InChI
InChI=1S/C11H12ClN5O2S2/c1-6-4-9-8(5-7(6)12)20-11(17-21(9,18)19)16-15-10-13-2-3-14-10/h4-5H,2-3H2,1H3,(H,16,17)(H2,13,14,15)
InChIKey
RYVONGQQONGTLC-UHFFFAOYSA-N
Compound name
1-(6-chloro-7-methyl-1,1-dioxo-1lambda6,4,2-benzodithiazin-3-yl)-2-(4,5-dihydro-1H-imidazol-2-yl)hydrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.0121 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.01938 167.1
[M+Na]+ 368.00132 178.3
[M-H]- 344.00482 170.0
[M+NH4]+ 363.04592 182.3
[M+K]+ 383.97526 170.8
[M+H-H2O]+ 328.00936 161.9
[M+HCOO]- 390.01030 172.9
[M+CH3COO]- 404.02595 177.3
[M+Na-2H]- 365.98677 171.0
[M]+ 345.01155 169.1
[M]- 345.01265 169.1
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.