CID 853511

4-(1,3-benzothiazol-2-yl)butanehydrazide

Structural Information

Molecular Formula
C11H13N3OS
SMILES
C1=CC=C2C(=C1)N=C(S2)CCCC(=O)NN
InChI
InChI=1S/C11H13N3OS/c12-14-10(15)6-3-7-11-13-8-4-1-2-5-9(8)16-11/h1-2,4-5H,3,6-7,12H2,(H,14,15)
InChIKey
CVKSGECMVPIYIB-UHFFFAOYSA-N
Compound name
4-(1,3-benzothiazol-2-yl)butanehydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

235.07793 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.08521 149.0
[M+Na]+ 258.06715 157.6
[M-H]- 234.07065 152.3
[M+NH4]+ 253.11175 168.3
[M+K]+ 274.04109 153.4
[M+H-H2O]+ 218.07519 142.2
[M+HCOO]- 280.07613 169.4
[M+CH3COO]- 294.09178 192.5
[M+Na-2H]- 256.05260 153.2
[M]+ 235.07738 151.6
[M]- 235.07848 151.6
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.