CID 208755

Brn 0503007

Structural Information

Molecular Formula
C26H28N4O4
SMILES
CCN(CC)CC(C1=CC=C(C=C1)NC2=C3C=CC(=CC3=NC4=C2C=CC(=C4)[N+](=O)[O-])OC)O
InChI
InChI=1S/C26H28N4O4/c1-4-29(5-2)16-25(31)17-6-8-18(9-7-17)27-26-21-12-10-19(30(32)33)14-23(21)28-24-15-20(34-3)11-13-22(24)26/h6-15,25,31H,4-5,16H2,1-3H3,(H,27,28)
InChIKey
ARGFYKVKYUKGQA-UHFFFAOYSA-N
Compound name
2-(diethylamino)-1-[4-[(3-methoxy-6-nitroacridin-9-yl)amino]phenyl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

460.21106 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.21834 210.8
[M+Na]+ 483.20028 225.6
[M+NH4]+ 478.24488 217.3
[M+K]+ 499.17422 219.9
[M-H]- 459.20378 218.1
[M+Na-2H]- 481.18573 217.9
[M]+ 460.21051 214.9
[M]- 460.21161 214.9
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.