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

1
Patents

356.14847 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.15575 176.5
[M+Na]+ 379.13769 182.4
[M-H]- 355.14119 179.4
[M+NH4]+ 374.18229 187.9
[M+K]+ 395.11163 173.8
[M+H-H2O]+ 339.14573 171.7
[M+HCOO]- 401.14667 199.3
[M+CH3COO]- 415.16232 213.7
[M+Na-2H]- 377.12314 187.2
[M]+ 356.14792 178.7
[M]- 356.14902 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