CID 14319

3-methylbenzothiazol-2(3h)-one hydrazone

Structural Information

Molecular Formula
C8H9N3S
SMILES
CN1C2=CC=CC=C2SC1=NN
InChI
InChI=1S/C8H9N3S/c1-11-6-4-2-3-5-7(6)12-8(11)10-9/h2-5H,9H2,1H3
InChIKey
PHOLIFLKGONSGY-UHFFFAOYSA-N
Compound name
(3-methyl-1,3-benzothiazol-2-ylidene)hydrazine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

132
References

4350
Patents

179.05171 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.05899 132.3
[M+Na]+ 202.04093 144.2
[M-H]- 178.04443 137.9
[M+NH4]+ 197.08553 155.2
[M+K]+ 218.01487 140.5
[M+H-H2O]+ 162.04897 126.2
[M+HCOO]- 224.04991 156.0
[M+CH3COO]- 238.06556 147.5
[M+Na-2H]- 200.02638 138.5
[M]+ 179.05116 135.3
[M]- 179.05226 135.3
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

patents stripe