CID 3076156

130366-23-3

Structural Information

Molecular Formula
C9H10N4OS
SMILES
C1=CC=C2C(=C1)N(C(=N)S2)CC(=O)NN
InChI
InChI=1S/C9H10N4OS/c10-9-13(5-8(14)12-11)6-3-1-2-4-7(6)15-9/h1-4,10H,5,11H2,(H,12,14)
InChIKey
DYIGPKKSBKEOHH-UHFFFAOYSA-N
Compound name
2-(2-imino-1,3-benzothiazol-3-yl)acetohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.05753 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.06481 143.0
[M+Na]+ 245.04675 152.7
[M-H]- 221.05025 146.9
[M+NH4]+ 240.09135 162.6
[M+K]+ 261.02069 148.2
[M+H-H2O]+ 205.05479 136.4
[M+HCOO]- 267.05573 165.0
[M+CH3COO]- 281.07138 192.1
[M+Na-2H]- 243.03220 148.1
[M]+ 222.05698 143.8
[M]- 222.05808 143.8
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.