CID 3474455

355826-74-3

Structural Information

Molecular Formula
C32H25NO3
SMILES
CC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC4=C(C=CC=C4C(=C3)C(=O)OCC(=O)C5=CC=CC=C5)C
InChI
InChI=1S/C32H25NO3/c1-21-11-13-23(14-12-21)24-15-17-25(18-16-24)29-19-28(27-10-6-7-22(2)31(27)33-29)32(35)36-20-30(34)26-8-4-3-5-9-26/h3-19H,20H2,1-2H3
InChIKey
NWFGEBTVLJYPFK-UHFFFAOYSA-N
Compound name
phenacyl 8-methyl-2-[4-(4-methylphenyl)phenyl]quinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

471.18344 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 472.19072 220.4
[M+Na]+ 494.17266 226.2
[M-H]- 470.17616 231.7
[M+NH4]+ 489.21726 226.2
[M+K]+ 510.14660 219.0
[M+H-H2O]+ 454.18070 206.5
[M+HCOO]- 516.18164 237.2
[M+CH3COO]- 530.19729 227.6
[M+Na-2H]- 492.15811 220.2
[M]+ 471.18289 221.6
[M]- 471.18399 221.6
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.