CID 384249

Nsc673795

Structural Information

Molecular Formula
C18H20N4O4
SMILES
COC1=CC2=C(C3=C(C=CC=C3[N+](=O)[O-])N=C2C=C1)NCCNCCO
InChI
InChI=1S/C18H20N4O4/c1-26-12-5-6-14-13(11-12)18(20-8-7-19-9-10-23)17-15(21-14)3-2-4-16(17)22(24)25/h2-6,11,19,23H,7-10H2,1H3,(H,20,21)
InChIKey
JZPIJWMIMBFFJU-UHFFFAOYSA-N
Compound name
2-[2-[(7-methoxy-1-nitroacridin-9-yl)amino]ethylamino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.14847 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.155746 176.5
[M+Na]+ 379.137688 182.4
[M-H]- 355.141194 179.4
[M+NH4]+ 374.182293 187.9
[M+K]+ 395.111628 173.8
[M+H-H2O]+ 339.145730 171.7
[M+HCOO]- 401.146671 199.3
[M+CH3COO]- 415.162321 213.7
[M+Na-2H]- 377.123136 187.2
[M]+ 356.14792142 178.7
[M]- 356.14901858 178.7
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