CID 208752

32951-81-8

Structural Information

Molecular Formula
C26H28N4O4
SMILES
CCN(CC)CC(C1=CC=C(C=C1)NC2=C3C(=NC4=C2C=CC(=C4)[N+](=O)[O-])C=CC=C3OC)O
InChI
InChI=1S/C26H28N4O4/c1-4-29(5-2)16-23(31)17-9-11-18(12-10-17)27-26-20-14-13-19(30(32)33)15-22(20)28-21-7-6-8-24(34-3)25(21)26/h6-15,23,31H,4-5,16H2,1-3H3,(H,27,28)
InChIKey
FYXJUPOZPYRULI-UHFFFAOYSA-N
Compound name
2-(diethylamino)-1-[4-[(1-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 209.3
[M+Na]+ 483.20028 212.7
[M-H]- 459.20378 215.8
[M+NH4]+ 478.24488 216.1
[M+K]+ 499.17422 204.4
[M+H-H2O]+ 443.20832 201.9
[M+HCOO]- 505.20926 229.5
[M+CH3COO]- 519.22491 238.4
[M+Na-2H]- 481.18573 215.6
[M]+ 460.21051 212.0
[M]- 460.21161 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.