CID 1925628

355422-01-4

Structural Information

Molecular Formula
C26H20N2O5
SMILES
CC1=C(C=C(C=C1)C(=O)COC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CC=C4)C)[N+](=O)[O-]
InChI
InChI=1S/C26H20N2O5/c1-16-12-13-19(14-22(16)28(31)32)23(29)15-33-26(30)24-17(2)25(18-8-4-3-5-9-18)27-21-11-7-6-10-20(21)24/h3-14H,15H2,1-2H3
InChIKey
JRZQCUJWUPZVHM-UHFFFAOYSA-N
Compound name
[2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 3-methyl-2-phenylquinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

440.1372 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.14448 206.7
[M+Na]+ 463.12642 211.5
[M-H]- 439.12992 215.6
[M+NH4]+ 458.17102 213.4
[M+K]+ 479.10036 202.6
[M+H-H2O]+ 423.13446 199.0
[M+HCOO]- 485.13540 225.6
[M+CH3COO]- 499.15105 227.0
[M+Na-2H]- 461.11187 209.6
[M]+ 440.13665 207.8
[M]- 440.13775 207.8
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.