CID 9574337

N'-(3,4,5-trimethoxybenzyliden)-2-pyridincarboxyamidrazone

Structural Information

Molecular Formula
C16H18N4O3
SMILES
COC1=CC(=CC(=C1OC)OC)/C=N/N=C(/C2=CC=CC=N2)\N
InChI
InChI=1S/C16H18N4O3/c1-21-13-8-11(9-14(22-2)15(13)23-3)10-19-20-16(17)12-6-4-5-7-18-12/h4-10H,1-3H3,(H2,17,20)/b19-10+
InChIKey
AVCMLIIAZKNMBK-VXLYETTFSA-N
Compound name
N'-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]pyridine-2-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

314.13788 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.14516 172.8
[M+Na]+ 337.12710 179.6
[M-H]- 313.13060 180.6
[M+NH4]+ 332.17170 186.1
[M+K]+ 353.10104 177.5
[M+H-H2O]+ 297.13514 162.5
[M+HCOO]- 359.13608 200.6
[M+CH3COO]- 373.15173 217.8
[M+Na-2H]- 335.11255 177.7
[M]+ 314.13733 176.8
[M]- 314.13843 176.8
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.