CID 208762

32951-79-4

Structural Information

Molecular Formula
C25H26N4O3
SMILES
CCN(CC)CC(C1=CC=C(C=C1)NC2=C3C=CC(=CC3=NC4=CC=CC=C42)[N+](=O)[O-])O
InChI
InChI=1S/C25H26N4O3/c1-3-28(4-2)16-24(30)17-9-11-18(12-10-17)26-25-20-7-5-6-8-22(20)27-23-15-19(29(31)32)13-14-21(23)25/h5-15,24,30H,3-4,16H2,1-2H3,(H,26,27)
InChIKey
SBMVWWAIBUQOFO-UHFFFAOYSA-N
Compound name
2-(diethylamino)-1-[4-[(3-nitroacridin-9-yl)amino]phenyl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

430.2005 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.20778 202.9
[M+Na]+ 453.18972 218.0
[M+NH4]+ 448.23432 210.1
[M+K]+ 469.16366 211.8
[M-H]- 429.19322 210.5
[M+Na-2H]- 451.17517 210.9
[M]+ 430.19995 207.2
[M]- 430.20105 207.2
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.