CID 378464

N-(10-hydroxyacridin-10-ium-9-yl)-n',n'-dimethyl-propane-1,3-diamine

Structural Information

Molecular Formula
C18H22N3O
SMILES
CN(C)CCCNC1=C2C=CC=CC2=[N+](C3=CC=CC=C31)O
InChI
InChI=1S/C18H21N3O/c1-20(2)13-7-12-19-18-14-8-3-5-10-16(14)21(22)17-11-6-4-9-15(17)18/h3-6,8-11,22H,7,12-13H2,1-2H3/p+1
InChIKey
SUOOYZBWNLZNGX-UHFFFAOYSA-O
Compound name
N-(10-hydroxyacridin-10-ium-9-yl)-N',N'-dimethylpropane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.1763 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.18358 169.7
[M+Na]+ 319.16552 177.1
[M-H]- 295.16902 174.1
[M+NH4]+ 314.21012 185.1
[M+K]+ 335.13946 166.8
[M+H-H2O]+ 279.17356 163.6
[M+HCOO]- 341.17450 191.7
[M+CH3COO]- 355.19015 205.2
[M+Na-2H]- 317.15097 180.3
[M]+ 296.17575 171.5
[M]- 296.17685 171.5
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.