CID 9575753

2-pyridinecarboximidic acid, 2-[3-(3-bromophenyl)-3-oxo-1-(3-pyridinyl)propyl]hydrazide

Structural Information

Molecular Formula
C20H18BrN5O
SMILES
C1=CC=NC(=C1)/C(=N/NC(CC(=O)C2=CC(=CC=C2)Br)C3=CN=CC=C3)/N
InChI
InChI=1S/C20H18BrN5O/c21-16-7-3-5-14(11-16)19(27)12-18(15-6-4-9-23-13-15)25-26-20(22)17-8-1-2-10-24-17/h1-11,13,18,25H,12H2,(H2,22,26)
InChIKey
XMPKNVYITLNLLH-UHFFFAOYSA-N
Compound name
N'-[[3-(3-bromophenyl)-3-oxo-1-pyridin-3-ylpropyl]amino]pyridine-2-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

423.06946 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.07674 188.0
[M+Na]+ 446.05868 193.6
[M-H]- 422.06218 197.0
[M+NH4]+ 441.10328 197.4
[M+K]+ 462.03262 180.7
[M+H-H2O]+ 406.06672 182.3
[M+HCOO]- 468.06766 207.7
[M+CH3COO]- 482.08331 228.7
[M+Na-2H]- 444.04413 193.5
[M]+ 423.06891 203.3
[M]- 423.07001 203.3
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.