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]+ 295.130176 165.2
[M+Na]+ 317.112118 173.6
[M-H]- 293.115624 169.3
[M+NH4]+ 312.156723 177.6
[M+K]+ 333.086058 168.5
[M+H-H2O]+ 277.120160 153.8
[M+HCOO]- 339.121101 189.0
[M+CH3COO]- 353.136751 176.2
[M+Na-2H]- 315.097566 174.1
[M]+ 294.12235142 167.7
[M]- 294.12344858 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.