CID 109624

2-benzothiazolamine, 4-hydrazinyl-

Structural Information

Molecular Formula
C7H8N4S
SMILES
C1=CC(=C2C(=C1)SC(=N2)N)NN
InChI
InChI=1S/C7H8N4S/c8-7-10-6-4(11-9)2-1-3-5(6)12-7/h1-3,11H,9H2,(H2,8,10)
InChIKey
VRMKCGYEAQPCHY-UHFFFAOYSA-N
Compound name
4-hydrazinyl-1,3-benzothiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.04697 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.054246 129.9
[M+Na]+ 203.036188 140.5
[M-H]- 179.039694 133.6
[M+NH4]+ 198.080793 151.3
[M+K]+ 219.010128 136.3
[M+H-H2O]+ 163.044230 123.8
[M+HCOO]- 225.045171 152.6
[M+CH3COO]- 239.060821 144.0
[M+Na-2H]- 201.021636 136.2
[M]+ 180.04642142 129.9
[M]- 180.04751858 129.9
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.