CID 6889162

3-(1h-1,2,3-benzotriazol-1-yl)-n'-(3-pyridinylmethylene)propanohydrazide

Structural Information

Molecular Formula
C15H14N6O
SMILES
C1=CC=C2C(=C1)N=NN2CCC(=O)N/N=C/C3=CN=CC=C3
InChI
InChI=1S/C15H14N6O/c22-15(19-17-11-12-4-3-8-16-10-12)7-9-21-14-6-2-1-5-13(14)18-20-21/h1-6,8,10-11H,7,9H2,(H,19,22)/b17-11+
InChIKey
QKOYCWXEFXPBLK-GZTJUZNOSA-N
Compound name
3-(benzotriazol-1-yl)-N-[(E)-pyridin-3-ylmethylideneamino]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.1229 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.13018 165.3
[M+Na]+ 317.11212 178.5
[M+NH4]+ 312.15672 171.4
[M+K]+ 333.08606 173.3
[M-H]- 293.11562 168.2
[M+Na-2H]- 315.09757 174.2
[M]+ 294.12235 167.7
[M]- 294.12345 167.7
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.