CID 146796

68772-11-2

Structural Information

Molecular Formula
C33H35N5O
SMILES
CCC[N+]1=CC=C(C=C1)NC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)NC4=CC=[N+](C5=CC=CC=C45)CCC
InChI
InChI=1S/C33H33N5O/c1-3-20-37-22-17-29(18-23-37)34-26-13-15-28(16-14-26)36-33(39)25-9-11-27(12-10-25)35-31-19-24-38(21-4-2)32-8-6-5-7-30(31)32/h5-19,22-24H,3-4,20-21H2,1-2H3,(H,36,39)/p+2
InChIKey
KHSIDRRULOFQID-UHFFFAOYSA-P
Compound name
N-[4-[(1-propylpyridin-1-ium-4-yl)amino]phenyl]-4-[(1-propylquinolin-1-ium-4-yl)amino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

517.2842 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 518.29148 231.5
[M+Na]+ 540.27342 251.3
[M+NH4]+ 535.31802 240.2
[M+K]+ 556.24736 240.7
[M-H]- 516.27692 245.2
[M+Na-2H]- 538.25887 244.8
[M]+ 517.28365 239.1
[M]- 517.28475 239.1
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.