CID 1739334

4-tert-butylphenyl 2-(4-methoxyphenyl)-4-quinolinecarboxylate

Structural Information

Molecular Formula
C27H25NO3
SMILES
CC(C)(C)C1=CC=C(C=C1)OC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)OC
InChI
InChI=1S/C27H25NO3/c1-27(2,3)19-11-15-21(16-12-19)31-26(29)23-17-25(18-9-13-20(30-4)14-10-18)28-24-8-6-5-7-22(23)24/h5-17H,1-4H3
InChIKey
MZUKVYGDBLSKIC-UHFFFAOYSA-N
Compound name
(4-tert-butylphenyl) 2-(4-methoxyphenyl)quinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

411.18344 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.19072 204.3
[M+Na]+ 434.17266 211.3
[M-H]- 410.17616 213.3
[M+NH4]+ 429.21726 213.9
[M+K]+ 450.14660 205.8
[M+H-H2O]+ 394.18070 192.9
[M+HCOO]- 456.18164 221.5
[M+CH3COO]- 470.19729 227.0
[M+Na-2H]- 432.15811 207.5
[M]+ 411.18289 207.6
[M]- 411.18399 207.6
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.