CID 9615774

3-(1h-1,2,3-benzotriazol-1-yl)-n'-[1-(2-thienyl)ethylidene]propanohydrazide

Structural Information

Molecular Formula
C15H15N5OS
SMILES
C/C(=N\NC(=O)CCN1C2=CC=CC=C2N=N1)/C3=CC=CS3
InChI
InChI=1S/C15H15N5OS/c1-11(14-7-4-10-22-14)16-18-15(21)8-9-20-13-6-3-2-5-12(13)17-19-20/h2-7,10H,8-9H2,1H3,(H,18,21)/b16-11+
InChIKey
LAEAICIHMHJQSL-LFIBNONCSA-N
Compound name
3-(benzotriazol-1-yl)-N-[(E)-1-thiophen-2-ylethylideneamino]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

313.09973 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.10701 169.2
[M+Na]+ 336.08895 179.9
[M+NH4]+ 331.13355 176.2
[M+K]+ 352.06289 175.4
[M-H]- 312.09245 172.1
[M+Na-2H]- 334.07440 175.9
[M]+ 313.09918 171.7
[M]- 313.10028 171.7
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.