CID 205944

19055-86-8

Structural Information

Molecular Formula
C36H32N6O4
SMILES
CCN1C=CC=CC1=NC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)C(=O)N=C5C=CC=CN5CC
InChI
InChI=1S/C36H32N6O4/c1-3-41-23-7-5-9-31(41)39-35(45)27-15-19-29(20-16-27)37-33(43)25-11-13-26(14-12-25)34(44)38-30-21-17-28(18-22-30)36(46)40-32-10-6-8-24-42(32)4-2/h5-24H,3-4H2,1-2H3,(H,37,43)(H,38,44)
InChIKey
NSGGRDLCHORYLF-UHFFFAOYSA-N
Compound name
1-N,4-N-bis[4-[(1-ethylpyridin-2-ylidene)carbamoyl]phenyl]benzene-1,4-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

612.2485 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 613.25578 249.1
[M+Na]+ 635.23772 250.4
[M-H]- 611.24122 263.2
[M+NH4]+ 630.28232 246.1
[M+K]+ 651.21166 244.7
[M+H-H2O]+ 595.24576 232.5
[M+HCOO]- 657.24670 270.4
[M+CH3COO]- 671.26235 274.4
[M+Na-2H]- 633.22317 249.6
[M]+ 612.24795 249.1
[M]- 612.24905 249.1
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.