CID 58266

4-(dimethylamino)methyleneamino-2,1,3-benzothiadiazole

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
1
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]+ 207.06990 140.9
[M+Na]+ 229.05184 151.6
[M-H]- 205.05534 146.6
[M+NH4]+ 224.09644 161.9
[M+K]+ 245.02578 149.4
[M+H-H2O]+ 189.05988 133.3
[M+HCOO]- 251.06082 164.1
[M+CH3COO]- 265.07647 155.4
[M+Na-2H]- 227.03729 147.6
[M]+ 206.06207 146.6
[M]- 206.06317 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.