CID 384337

Nsc674022

Structural Information

Molecular Formula
C16H12ClN5O2S2
SMILES
CC1=CC2=C(C=C1Cl)SC(=NS2(=O)=O)NNC3=NC4=CC=CC=C4N=C3
InChI
InChI=1S/C16H12ClN5O2S2/c1-9-6-14-13(7-10(9)17)25-16(22-26(14,23)24)21-20-15-8-18-11-4-2-3-5-12(11)19-15/h2-8H,1H3,(H,19,20)(H,21,22)
InChIKey
DTEIQDMTAPBWNV-UHFFFAOYSA-N
Compound name
1-(6-chloro-7-methyl-1,1-dioxo-1lambda6,4,2-benzodithiazin-3-yl)-2-quinoxalin-2-ylhydrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

405.0121 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.01938 179.8
[M+Na]+ 428.00132 191.9
[M-H]- 404.00482 184.1
[M+NH4]+ 423.04592 191.9
[M+K]+ 443.97526 183.4
[M+H-H2O]+ 388.00936 172.3
[M+HCOO]- 450.01030 185.7
[M+CH3COO]- 464.02595 189.4
[M+Na-2H]- 425.98677 188.7
[M]+ 405.01155 185.0
[M]- 405.01265 185.0
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.