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]+ 401.181956 185.5
[M+Na]+ 423.163898 188.7
[M-H]- 399.167404 185.3
[M+NH4]+ 418.208503 193.4
[M+K]+ 439.137838 179.7
[M+H-H2O]+ 383.171940 181.4
[M+HCOO]- 445.172881 203.3
[M+CH3COO]- 459.188531 216.3
[M+Na-2H]- 421.149346 197.2
[M]+ 400.17413142 185.3
[M]- 400.17522858 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.