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 200.8
[M+Na]+ 453.18972 204.1
[M-H]- 429.19322 207.1
[M+NH4]+ 448.23432 208.7
[M+K]+ 469.16366 195.0
[M+H-H2O]+ 413.19776 193.7
[M+HCOO]- 475.19870 221.2
[M+CH3COO]- 489.21435 232.2
[M+Na-2H]- 451.17517 208.0
[M]+ 430.19995 201.5
[M]- 430.20105 201.5
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.