CID 383901

2-(acridine-4-carbonylamino)ethyl-hydroxy-dimethyl-ammonium

Structural Information

Molecular Formula
C18H20N3O2
SMILES
C[N+](C)(CCNC(=O)C1=CC=CC2=CC3=CC=CC=C3N=C21)O
InChI
InChI=1S/C18H19N3O2/c1-21(2,23)11-10-19-18(22)15-8-5-7-14-12-13-6-3-4-9-16(13)20-17(14)15/h3-9,12,23H,10-11H2,1-2H3/p+1
InChIKey
NHKILGXAMAEBFN-UHFFFAOYSA-O
Compound name
2-(acridine-4-carbonylamino)ethyl-hydroxy-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.15555 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.16283 170.1
[M+Na]+ 333.14477 177.2
[M-H]- 309.14827 174.5
[M+NH4]+ 328.18937 184.9
[M+K]+ 349.11871 167.2
[M+H-H2O]+ 293.15281 164.6
[M+HCOO]- 355.15375 190.8
[M+CH3COO]- 369.16940 204.8
[M+Na-2H]- 331.13022 182.7
[M]+ 310.15500 171.2
[M]- 310.15610 171.2
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.