CID 378849

Nsc662189

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

313.10626 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.11354 166.2
[M+Na]+ 336.09548 174.0
[M-H]- 312.09898 169.6
[M+NH4]+ 331.14008 179.8
[M+K]+ 352.06942 165.7
[M+H-H2O]+ 296.10352 162.2
[M+HCOO]- 358.10446 188.7
[M+CH3COO]- 372.12011 202.6
[M+Na-2H]- 334.08093 177.0
[M]+ 313.10571 168.4
[M]- 313.10681 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.