CID 58266

101398-44-1

Structural Information

Molecular Formula
C9H10N4S
SMILES
CN(C)C=NC1=CC=CC2=NSN=C21
InChI
InChI=1S/C9H10N4S/c1-13(2)6-10-7-4-3-5-8-9(7)12-14-11-8/h3-6H,1-2H3
InChIKey
XGSDDADAQMHBAA-UHFFFAOYSA-N
Compound name
N'-(2,1,3-benzothiadiazol-4-yl)-N,N-dimethylmethanimidamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

206.06262 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.069896 140.9
[M+Na]+ 229.051838 151.6
[M-H]- 205.055344 146.6
[M+NH4]+ 224.096443 161.9
[M+K]+ 245.025778 149.4
[M+H-H2O]+ 189.059880 133.3
[M+HCOO]- 251.060821 164.1
[M+CH3COO]- 265.076471 155.4
[M+Na-2H]- 227.037286 147.6
[M]+ 206.06207142 146.6
[M]- 206.06316858 146.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.