CID 3056868

Brn 0858636

Structural Information

Molecular Formula
C21H19N3O4
SMILES
CN1CCCC2=C1N(C3=CC=CC=C3C2=O)CC(=O)C4=CC=C(C=C4)[N+](=O)[O-]
InChI
InChI=1S/C21H19N3O4/c1-22-12-4-6-17-20(26)16-5-2-3-7-18(16)23(21(17)22)13-19(25)14-8-10-15(11-9-14)24(27)28/h2-3,5,7-11H,4,6,12-13H2,1H3
InChIKey
AKPWFVQYUKUIME-UHFFFAOYSA-N
Compound name
1-methyl-10-[2-(4-nitrophenyl)-2-oxoethyl]-3,4-dihydro-2H-benzo[b][1,8]naphthyridin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.13754 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.14482 185.6
[M+Na]+ 400.12676 201.5
[M+NH4]+ 395.17136 192.7
[M+K]+ 416.10070 196.3
[M-H]- 376.13026 190.9
[M+Na-2H]- 398.11221 191.9
[M]+ 377.13699 189.3
[M]- 377.13809 189.3
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.