CID 135429906

109902-09-2

Structural Information

Molecular Formula
C10H13N3O3S
SMILES
CN1C2=CC=CC=C2S(=O)(=O)NC1=NCCO
InChI
InChI=1S/C10H13N3O3S/c1-13-8-4-2-3-5-9(8)17(15,16)12-10(13)11-6-7-14/h2-5,14H,6-7H2,1H3,(H,11,12)
InChIKey
WLOQQPVPKLIXRG-UHFFFAOYSA-N
Compound name
2-[(4-methyl-1,1-dioxo-1lambda6,2,4-benzothiadiazin-3-ylidene)amino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.06776 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.07504 151.3
[M+Na]+ 278.05698 160.7
[M-H]- 254.06048 151.9
[M+NH4]+ 273.10158 168.5
[M+K]+ 294.03092 156.1
[M+H-H2O]+ 238.06502 145.0
[M+HCOO]- 300.06596 165.3
[M+CH3COO]- 314.08161 190.4
[M+Na-2H]- 276.04243 157.1
[M]+ 255.06721 152.0
[M]- 255.06831 152.0
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.