CID 1347524

355419-67-9

Structural Information

Molecular Formula
C24H15BrN2O5
SMILES
C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)OCC(=O)C4=CC(=CC=C4)[N+](=O)[O-]
InChI
InChI=1S/C24H15BrN2O5/c25-17-9-10-21-19(12-17)20(13-22(26-21)15-5-2-1-3-6-15)24(29)32-14-23(28)16-7-4-8-18(11-16)27(30)31/h1-13H,14H2
InChIKey
XZIZCLXMHXSTCS-UHFFFAOYSA-N
Compound name
[2-(3-nitrophenyl)-2-oxoethyl] 6-bromo-2-phenylquinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

490.01642 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 491.023696 208.3
[M+Na]+ 513.005638 214.8
[M-H]- 489.009144 218.9
[M+NH4]+ 508.050243 216.7
[M+K]+ 528.979578 199.8
[M+H-H2O]+ 473.013680 207.3
[M+HCOO]- 535.014621 225.3
[M+CH3COO]- 549.030271 227.1
[M+Na-2H]- 510.991086 213.2
[M]+ 490.01587142 227.2
[M]- 490.01696858 227.2
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.