CID 135429907

Nsc373861

Structural Information

Molecular Formula
C11H15N3O3S
SMILES
CCN1C2=CC=CC=C2S(=O)(=O)NC1=NCCO
InChI
InChI=1S/C11H15N3O3S/c1-2-14-9-5-3-4-6-10(9)18(16,17)13-11(14)12-7-8-15/h3-6,15H,2,7-8H2,1H3,(H,12,13)
InChIKey
VSHPSFFNUPOGJQ-UHFFFAOYSA-N
Compound name
2-[(4-ethyl-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

269.0834 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.09068 155.5
[M+Na]+ 292.07262 164.4
[M-H]- 268.07612 155.9
[M+NH4]+ 287.11722 172.1
[M+K]+ 308.04656 159.6
[M+H-H2O]+ 252.08066 149.0
[M+HCOO]- 314.08160 169.2
[M+CH3COO]- 328.09725 193.4
[M+Na-2H]- 290.05807 160.8
[M]+ 269.08285 156.5
[M]- 269.08395 156.5
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.