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 170.7
[M+Na]+ 336.08895 179.5
[M-H]- 312.09245 177.0
[M+NH4]+ 331.13355 186.6
[M+K]+ 352.06289 175.5
[M+H-H2O]+ 296.09699 161.9
[M+HCOO]- 358.09793 191.1
[M+CH3COO]- 372.11358 182.3
[M+Na-2H]- 334.07440 173.0
[M]+ 313.09918 175.8
[M]- 313.10028 175.8
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.