CID 209086

19209-86-0

Structural Information

Molecular Formula
C34H28N6O4
SMILES
CN1C=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=CN5C
InChI
InChI=1S/C34H28N6O4/c1-39-21-5-3-7-29(39)37-33(43)25-13-17-27(18-14-25)35-31(41)23-9-11-24(12-10-23)32(42)36-28-19-15-26(16-20-28)34(44)38-30-8-4-6-22-40(30)2/h3-22H,1-2H3,(H,35,41)(H,36,42)
InChIKey
AEJMLQWRUCVIHJ-UHFFFAOYSA-N
Compound name
1-N,4-N-bis[4-[(1-methylpyridin-2-ylidene)carbamoyl]phenyl]benzene-1,4-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

584.2172 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 585.22448 238.8
[M+Na]+ 607.20642 253.0
[M+NH4]+ 602.25102 241.8
[M+K]+ 623.18036 245.1
[M-H]- 583.20992 248.9
[M+Na-2H]- 605.19187 251.4
[M]+ 584.21665 243.4
[M]- 584.21775 243.4
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.