CID 149590

C 1005

Structural Information

Molecular Formula
C20H24N4O5
SMILES
C1=CC=C2C(=C1)C(=C3C(=N2)C=CC=C3[N+](=O)[O-])NCCCNC(CO)(CO)CO
InChI
InChI=1S/C20H24N4O5/c25-11-20(12-26,13-27)22-10-4-9-21-19-14-5-1-2-6-15(14)23-16-7-3-8-17(18(16)19)24(28)29/h1-3,5-8,22,25-27H,4,9-13H2,(H,21,23)
InChIKey
IDEIRLMBSVAEAF-UHFFFAOYSA-N
Compound name
2-(hydroxymethyl)-2-[3-[(1-nitroacridin-9-yl)amino]propylamino]propane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.17468 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.18196 185.5
[M+Na]+ 423.16390 188.7
[M-H]- 399.16740 185.3
[M+NH4]+ 418.20850 193.4
[M+K]+ 439.13784 179.7
[M+H-H2O]+ 383.17194 181.4
[M+HCOO]- 445.17288 203.3
[M+CH3COO]- 459.18853 216.3
[M+Na-2H]- 421.14935 197.2
[M]+ 400.17413 185.3
[M]- 400.17523 185.3
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.