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

1
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

patents stripe