CID 384256

Nsc673802

Structural Information

Molecular Formula
C16H15N3O4
SMILES
COC1=CC2=C(C3=C(C=C(C=C3)[N+](=O)[O-])N=C2C=C1)NCCO
InChI
InChI=1S/C16H15N3O4/c1-23-11-3-5-14-13(9-11)16(17-6-7-20)12-4-2-10(19(21)22)8-15(12)18-14/h2-5,8-9,20H,6-7H2,1H3,(H,17,18)
InChIKey
SRRFTJXVLGVGBA-UHFFFAOYSA-N
Compound name
2-[(2-methoxy-6-nitroacridin-9-yl)amino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.10626 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.113536 166.2
[M+Na]+ 336.095478 174.0
[M-H]- 312.098984 169.6
[M+NH4]+ 331.140083 179.8
[M+K]+ 352.069418 165.7
[M+H-H2O]+ 296.103520 162.2
[M+HCOO]- 358.104461 188.7
[M+CH3COO]- 372.120111 202.6
[M+Na-2H]- 334.080926 177.0
[M]+ 313.10571142 168.4
[M]- 313.10680858 168.4
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.