CID 208755

33028-67-0

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]+ 461.218336 209.3
[M+Na]+ 483.200278 212.7
[M-H]- 459.203784 215.8
[M+NH4]+ 478.244883 216.1
[M+K]+ 499.174218 204.4
[M+H-H2O]+ 443.208320 201.9
[M+HCOO]- 505.209261 229.5
[M+CH3COO]- 519.224911 238.4
[M+Na-2H]- 481.185726 215.6
[M]+ 460.21051142 212.0
[M]- 460.21160858 212.0
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.