CID 159954

Sn 6324

Structural Information

Molecular Formula
C36H34N6O4
SMILES
CC1=CC(=C(C=C1C(=O)NC2=CC=C(C=C2)C(=O)NC3=C[N+](=CC=C3)C)C)C(=O)NC4=CC=C(C=C4)C(=O)NC5=C[N+](=CC=C5)C
InChI
InChI=1S/C36H32N6O4/c1-23-19-32(36(46)38-28-15-11-26(12-16-28)34(44)40-30-8-6-18-42(4)22-30)24(2)20-31(23)35(45)37-27-13-9-25(10-14-27)33(43)39-29-7-5-17-41(3)21-29/h5-22H,1-4H3,(H2-2,37,38,39,40,43,44,45,46)/p+2
InChIKey
NHYFWKHAQWWJMI-UHFFFAOYSA-P
Compound name
2,5-dimethyl-1-N,4-N-bis[4-[(1-methylpyridin-1-ium-3-yl)carbamoyl]phenyl]benzene-1,4-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

614.26416 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 615.27144 249.1
[M+Na]+ 637.25338 266.0
[M+NH4]+ 632.29798 253.8
[M+K]+ 653.22732 259.7
[M-H]- 613.25688 262.1
[M+Na-2H]- 635.23883 261.2
[M]+ 614.26361 255.6
[M]- 614.26471 255.6
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.