CID 1925989

355421-42-0

Structural Information

Molecular Formula
C27H25NO2
SMILES
CC1=CC(=C(C=C1)C(C)C)OC(=O)C2=CC(=NC3=C(C=CC=C23)C)C4=CC=CC=C4
InChI
InChI=1S/C27H25NO2/c1-17(2)21-14-13-18(3)15-25(21)30-27(29)23-16-24(20-10-6-5-7-11-20)28-26-19(4)9-8-12-22(23)26/h5-17H,1-4H3
InChIKey
CPQCRNIADPDRDO-UHFFFAOYSA-N
Compound name
(5-methyl-2-propan-2-ylphenyl) 8-methyl-2-phenylquinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.18854 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.19582 200.1
[M+Na]+ 418.17776 207.4
[M-H]- 394.18126 209.2
[M+NH4]+ 413.22236 210.4
[M+K]+ 434.15170 201.1
[M+H-H2O]+ 378.18580 188.7
[M+HCOO]- 440.18674 217.8
[M+CH3COO]- 454.20239 209.3
[M+Na-2H]- 416.16321 200.5
[M]+ 395.18799 202.4
[M]- 395.18909 202.4
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.