CID 132768

102584-14-5

Structural Information

Molecular Formula
C34H30N6O4
SMILES
C[N+]1=CC=CC(=C1)NC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)C(=O)NC4=CC=CC(=C4)C(=O)NC5=C[N+](=CC=C5)C
InChI
InChI=1S/C34H28N6O4/c1-39-18-4-8-29(21-39)37-33(43)25-14-16-27(17-15-25)35-31(41)23-10-12-24(13-11-23)32(42)36-28-7-3-6-26(20-28)34(44)38-30-9-5-19-40(2)22-30/h3-22H,1-2H3,(H2-2,35,36,37,38,41,42,43,44)/p+2
InChIKey
RBQXFZLGWJCEFF-UHFFFAOYSA-P
Compound name
4-N-[3-[(1-methylpyridin-1-ium-3-yl)carbamoyl]phenyl]-1-N-[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

586.23285 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 587.24013 238.9
[M+Na]+ 609.22207 255.5
[M+NH4]+ 604.26667 243.9
[M+K]+ 625.19601 249.4
[M-H]- 585.22557 251.7
[M+Na-2H]- 607.20752 252.1
[M]+ 586.23230 245.3
[M]- 586.23340 245.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.