CID 9575121

N-[[3-oxo-3-(4-phenylphenyl)-1-(3-pyridyl)propyl]amino]pyridine-2-carboxamidine

Structural Information

Molecular Formula
C26H23N5O
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)CC(C3=CN=CC=C3)N/N=C(/C4=CC=CC=N4)\N
InChI
InChI=1S/C26H23N5O/c27-26(23-10-4-5-16-29-23)31-30-24(22-9-6-15-28-18-22)17-25(32)21-13-11-20(12-14-21)19-7-2-1-3-8-19/h1-16,18,24,30H,17H2,(H2,27,31)
InChIKey
HLMDAZJFIRZXDQ-UHFFFAOYSA-N
Compound name
N'-[[3-oxo-3-(4-phenylphenyl)-1-pyridin-3-ylpropyl]amino]pyridine-2-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

421.19025 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.19753 200.2
[M+Na]+ 444.17947 202.1
[M-H]- 420.18297 209.6
[M+NH4]+ 439.22407 204.8
[M+K]+ 460.15341 195.4
[M+H-H2O]+ 404.18751 186.6
[M+HCOO]- 466.18845 221.4
[M+CH3COO]- 480.20410 207.0
[M+Na-2H]- 442.16492 204.8
[M]+ 421.18970 196.2
[M]- 421.19080 196.2
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.