CID 326395

58099-00-6

Structural Information

Molecular Formula
C9H7N3OS
SMILES
CS1(=NC(=NC#N)C2=CC=CC=C21)=O
InChI
InChI=1S/C9H7N3OS/c1-14(13)8-5-3-2-4-7(8)9(12-14)11-6-10/h2-5H,1H3
InChIKey
LBRGFBVOZZIFMY-UHFFFAOYSA-N
Compound name
(1-methyl-1-oxo-1,2-benzothiazol-3-ylidene)cyanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.03099 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.03827 147.0
[M+Na]+ 228.02021 161.3
[M-H]- 204.02371 152.3
[M+NH4]+ 223.06481 168.7
[M+K]+ 243.99415 156.2
[M+H-H2O]+ 188.02825 134.7
[M+HCOO]- 250.02919 165.1
[M+CH3COO]- 264.04484 160.2
[M+Na-2H]- 226.00566 152.6
[M]+ 205.03044 146.1
[M]- 205.03154 146.1
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.