CID 335795

Nsc346897

Structural Information

Molecular Formula
C9H8ClN3O2S
SMILES
COC(=O)NC1=NC2=C(C=C(C=C2)Cl)NS1
InChI
InChI=1S/C9H8ClN3O2S/c1-15-9(14)12-8-11-6-3-2-5(10)4-7(6)13-16-8/h2-4,13H,1H3,(H,11,12,14)
InChIKey
NCBLGZAXARXOAI-UHFFFAOYSA-N
Compound name
methyl N-(7-chloro-1H-2,1,4-benzothiadiazin-3-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.00256 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.00984 149.0
[M+Na]+ 279.99178 158.2
[M-H]- 255.99528 149.8
[M+NH4]+ 275.03638 165.1
[M+K]+ 295.96572 153.1
[M+H-H2O]+ 239.99982 143.1
[M+HCOO]- 302.00076 158.9
[M+CH3COO]- 316.01641 160.3
[M+Na-2H]- 277.97723 154.0
[M]+ 257.00201 151.1
[M]- 257.00311 151.1
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.