CID 115086

3,6-bis(dimethylamino)-10-nonylacridinium

Structural Information

Molecular Formula
C26H38N3
SMILES
CCCCCCCCC[N+]1=C2C=C(C=CC2=CC3=C1C=C(C=C3)N(C)C)N(C)C
InChI
InChI=1S/C26H38N3/c1-6-7-8-9-10-11-12-17-29-25-19-23(27(2)3)15-13-21(25)18-22-14-16-24(28(4)5)20-26(22)29/h13-16,18-20H,6-12,17H2,1-5H3/q+1
InChIKey
CHKMESCAQLVOQU-UHFFFAOYSA-N
Compound name
3-N,3-N,6-N,6-N-tetramethyl-10-nonylacridin-10-ium-3,6-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

74
References

291
Patents

392.30658 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.31386 206.1
[M+Na]+ 415.29580 211.4
[M-H]- 391.29930 211.9
[M+NH4]+ 410.34040 219.0
[M+K]+ 431.26974 200.9
[M+H-H2O]+ 375.30384 197.9
[M+HCOO]- 437.30478 226.8
[M+CH3COO]- 451.32043 233.8
[M+Na-2H]- 413.28125 210.8
[M]+ 392.30603 212.2
[M]- 392.30713 212.2
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

patents stripe