CID 53639

2-hydroxyethyl-(1-nitroacridin-9-yl)azanium;chloride

Structural Information

Molecular Formula
C15H13N3O3
SMILES
C1=CC=C2C(=C1)C(=C3C(=N2)C=CC=C3[N+](=O)[O-])NCCO
InChI
InChI=1S/C15H13N3O3/c19-9-8-16-15-10-4-1-2-5-11(10)17-12-6-3-7-13(14(12)15)18(20)21/h1-7,19H,8-9H2,(H,16,17)
InChIKey
HARZMLUWPOFDHZ-UHFFFAOYSA-N
Compound name
2-[(1-nitroacridin-9-yl)amino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

18
Patents

283.0957 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.10298 157.7
[M+Na]+ 306.08492 165.4
[M-H]- 282.08842 160.9
[M+NH4]+ 301.12952 172.4
[M+K]+ 322.05886 156.5
[M+H-H2O]+ 266.09296 154.0
[M+HCOO]- 328.09390 180.5
[M+CH3COO]- 342.10955 196.3
[M+Na-2H]- 304.07037 169.6
[M]+ 283.09515 157.9
[M]- 283.09625 157.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe