CID 378850

Nsc662190

Structural Information

Molecular Formula
C17H15N3O5
SMILES
COC1=CC2=C(C3=C(C=CC=C3[N+](=O)[O-])N=C2C=C1)NCCC(=O)O
InChI
InChI=1S/C17H15N3O5/c1-25-10-5-6-12-11(9-10)17(18-8-7-15(21)22)16-13(19-12)3-2-4-14(16)20(23)24/h2-6,9H,7-8H2,1H3,(H,18,19)(H,21,22)
InChIKey
NFWSKLAUALATLI-UHFFFAOYSA-N
Compound name
3-[(7-methoxy-1-nitroacridin-9-yl)amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.10117 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.10845 172.6
[M+Na]+ 364.09039 179.6
[M-H]- 340.09389 175.8
[M+NH4]+ 359.13499 184.6
[M+K]+ 380.06433 171.7
[M+H-H2O]+ 324.09843 168.3
[M+HCOO]- 386.09937 194.0
[M+CH3COO]- 400.11502 207.7
[M+Na-2H]- 362.07584 182.1
[M]+ 341.10062 175.1
[M]- 341.10172 175.1
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.