CID 356127

Nsc611219

Structural Information

Molecular Formula
C15H10N2O5
SMILES
COC1=CC2=C(C=C(C3=C2C=CC=C3[N+](=O)[O-])C(=O)O)N=C1
InChI
InChI=1S/C15H10N2O5/c1-22-8-5-10-9-3-2-4-13(17(20)21)14(9)11(15(18)19)6-12(10)16-7-8/h2-7H,1H3,(H,18,19)
InChIKey
UQTQWIJEOXVLEZ-UHFFFAOYSA-N
Compound name
2-methoxy-7-nitrobenzo[f]quinoline-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.05896 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.06624 161.0
[M+Na]+ 321.04818 169.9
[M-H]- 297.05168 164.8
[M+NH4]+ 316.09278 175.2
[M+K]+ 337.02212 162.4
[M+H-H2O]+ 281.05622 157.5
[M+HCOO]- 343.05716 182.2
[M+CH3COO]- 357.07281 196.8
[M+Na-2H]- 319.03363 170.7
[M]+ 298.05841 163.6
[M]- 298.05951 163.6
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.