CID 3059932

1,2-dibenzamido-1,2-di-4-pyridylethane

Structural Information

Molecular Formula
C26H22N4O2
SMILES
C1=CC=C(C=C1)C(=O)NC(C2=CC=NC=C2)C(C3=CC=NC=C3)NC(=O)C4=CC=CC=C4
InChI
InChI=1S/C26H22N4O2/c31-25(21-7-3-1-4-8-21)29-23(19-11-15-27-16-12-19)24(20-13-17-28-18-14-20)30-26(32)22-9-5-2-6-10-22/h1-18,23-24H,(H,29,31)(H,30,32)
InChIKey
GHAHZXMMSGQSKP-UHFFFAOYSA-N
Compound name
N-(2-benzamido-1,2-dipyridin-4-ylethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

422.1743 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.18158 199.2
[M+Na]+ 445.16352 200.0
[M-H]- 421.16702 207.5
[M+NH4]+ 440.20812 203.1
[M+K]+ 461.13746 194.1
[M+H-H2O]+ 405.17156 186.0
[M+HCOO]- 467.17250 217.7
[M+CH3COO]- 481.18815 205.5
[M+Na-2H]- 443.14897 203.4
[M]+ 422.17375 195.1
[M]- 422.17485 195.1
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.