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]+ 491.02370 208.3
[M+Na]+ 513.00564 214.8
[M-H]- 489.00914 218.9
[M+NH4]+ 508.05024 216.7
[M+K]+ 528.97958 199.8
[M+H-H2O]+ 473.01368 207.3
[M+HCOO]- 535.01462 225.3
[M+CH3COO]- 549.03027 227.1
[M+Na-2H]- 510.99109 213.2
[M]+ 490.01587 227.2
[M]- 490.01697 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.