CID 208964

19056-14-5

Structural Information

Molecular Formula
C38H36N6O4
SMILES
CCCN1C=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=CN5CCC
InChI
InChI=1S/C38H36N6O4/c1-3-23-43-25-7-5-9-33(43)41-37(47)29-15-19-31(20-16-29)39-35(45)27-11-13-28(14-12-27)36(46)40-32-21-17-30(18-22-32)38(48)42-34-10-6-8-26-44(34)24-4-2/h5-22,25-26H,3-4,23-24H2,1-2H3,(H,39,45)(H,40,46)
InChIKey
ZDKUQRVRQRVIFX-UHFFFAOYSA-N
Compound name
1-N,4-N-bis[4-[(1-propylpyridin-2-ylidene)carbamoyl]phenyl]benzene-1,4-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

640.2798 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 641.28708 255.2
[M+Na]+ 663.26902 268.6
[M+NH4]+ 658.31362 257.5
[M+K]+ 679.24296 259.8
[M-H]- 639.27252 265.2
[M+Na-2H]- 661.25447 266.8
[M]+ 640.27925 259.6
[M]- 640.28035 259.6
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.