CID 16072501

919296-60-9

Structural Information

Molecular Formula
C19H15N3O5
SMILES
CC(=O)NC1=C(C2=C(C=CC(=C2)[N+](=O)[O-])N=C1OC(=O)C)C3=CC=CC=C3
InChI
InChI=1S/C19H15N3O5/c1-11(23)20-18-17(13-6-4-3-5-7-13)15-10-14(22(25)26)8-9-16(15)21-19(18)27-12(2)24/h3-10H,1-2H3,(H,20,23)
InChIKey
WVMSKJXYGNBCNG-UHFFFAOYSA-N
Compound name
(3-acetamido-6-nitro-4-phenylquinolin-2-yl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.10117 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.10845 181.8
[M+Na]+ 388.09039 187.5
[M-H]- 364.09389 188.3
[M+NH4]+ 383.13499 192.1
[M+K]+ 404.06433 180.2
[M+H-H2O]+ 348.09843 176.5
[M+HCOO]- 410.09937 203.5
[M+CH3COO]- 424.11502 213.2
[M+Na-2H]- 386.07584 187.7
[M]+ 365.10062 182.5
[M]- 365.10172 182.5
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.