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 256.8
[M+Na]+ 663.26902 257.1
[M-H]- 639.27252 270.4
[M+NH4]+ 658.31362 252.6
[M+K]+ 679.24296 251.2
[M+H-H2O]+ 623.27706 239.8
[M+HCOO]- 685.27800 277.4
[M+CH3COO]- 699.29365 279.7
[M+Na-2H]- 661.25447 256.3
[M]+ 640.27925 257.3
[M]- 640.28035 257.3
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.