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 241.2
[M+Na]+ 607.20642 243.6
[M-H]- 583.20992 255.8
[M+NH4]+ 602.25102 239.5
[M+K]+ 623.18036 238.2
[M+H-H2O]+ 567.21446 225.2
[M+HCOO]- 629.21540 263.3
[M+CH3COO]- 643.23105 269.0
[M+Na-2H]- 605.19187 242.7
[M]+ 584.21665 240.8
[M]- 584.21775 240.8
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.