CID 6478449

Phenanthridinium chloride, 6-(p-diethylaminostyryl)-5-methyl-

Structural Information

Molecular Formula
C26H27N2
SMILES
CCN(CC)C1=CC=C(C=C1)/C=C/C2=[N+](C3=CC=CC=C3C4=CC=CC=C42)C
InChI
InChI=1S/C26H27N2/c1-4-28(5-2)21-17-14-20(15-18-21)16-19-26-24-11-7-6-10-22(24)23-12-8-9-13-25(23)27(26)3/h6-19H,4-5H2,1-3H3/q+1
InChIKey
CIHQAOHHFBGSKY-UHFFFAOYSA-N
Compound name
N,N-diethyl-4-[(E)-2-(5-methylphenanthridin-5-ium-6-yl)ethenyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.21744 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.22472 197.5
[M+Na]+ 390.20666 205.0
[M-H]- 366.21016 205.6
[M+NH4]+ 385.25126 210.4
[M+K]+ 406.18060 191.9
[M+H-H2O]+ 350.21470 188.7
[M+HCOO]- 412.21564 217.9
[M+CH3COO]- 426.23129 220.2
[M+Na-2H]- 388.19211 204.5
[M]+ 367.21689 199.5
[M]- 367.21799 199.5
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.