CID 3059941

1,2-bis(4-methoxybenzamido)-1,2-di-4-pyridylethane

Structural Information

Molecular Formula
C28H26N4O4
SMILES
COC1=CC=C(C=C1)C(=O)NC(C2=CC=NC=C2)C(C3=CC=NC=C3)NC(=O)C4=CC=C(C=C4)OC
InChI
InChI=1S/C28H26N4O4/c1-35-23-7-3-21(4-8-23)27(33)31-25(19-11-15-29-16-12-19)26(20-13-17-30-18-14-20)32-28(34)22-5-9-24(36-2)10-6-22/h3-18,25-26H,1-2H3,(H,31,33)(H,32,34)
InChIKey
NATLJAOGPGKFLR-UHFFFAOYSA-N
Compound name
4-methoxy-N-[2-[(4-methoxybenzoyl)amino]-1,2-dipyridin-4-ylethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

482.1954 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 483.20268 214.5
[M+Na]+ 505.18462 215.7
[M-H]- 481.18812 223.3
[M+NH4]+ 500.22922 216.3
[M+K]+ 521.15856 211.4
[M+H-H2O]+ 465.19266 200.7
[M+HCOO]- 527.19360 232.6
[M+CH3COO]- 541.20925 242.1
[M+Na-2H]- 503.17007 216.3
[M]+ 482.19485 214.6
[M]- 482.19595 214.6
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.