CID 384247

Nsc673793

Structural Information

Molecular Formula
C20H24N4O5
SMILES
COC1=CC2=C(C3=C(C=CC=C3[N+](=O)[O-])N=C2C=C1)NCCN(CCO)CCO
InChI
InChI=1S/C20H24N4O5/c1-29-14-5-6-16-15(13-14)20(21-7-8-23(9-11-25)10-12-26)19-17(22-16)3-2-4-18(19)24(27)28/h2-6,13,25-26H,7-12H2,1H3,(H,21,22)
InChIKey
FSFCSVVEPROIAI-UHFFFAOYSA-N
Compound name
2-[2-hydroxyethyl-[2-[(7-methoxy-1-nitroacridin-9-yl)amino]ethyl]amino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

400.17468 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.18196 188.5
[M+Na]+ 423.16390 192.8
[M-H]- 399.16740 191.0
[M+NH4]+ 418.20850 197.8
[M+K]+ 439.13784 185.2
[M+H-H2O]+ 383.17194 183.2
[M+HCOO]- 445.17288 209.7
[M+CH3COO]- 459.18853 222.5
[M+Na-2H]- 421.14935 197.3
[M]+ 400.17413 192.0
[M]- 400.17523 192.0
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

patents stripe