CID 3451402

355420-47-2

Structural Information

Molecular Formula
C27H23NO3
SMILES
CC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=CC(=NC3=C(C=CC=C23)C)C4=CC=CC=C4
InChI
InChI=1S/C27H23NO3/c1-17-12-14-21(15-13-17)26(29)19(3)31-27(30)23-16-24(20-9-5-4-6-10-20)28-25-18(2)8-7-11-22(23)25/h4-16,19H,1-3H3
InChIKey
HTBCXGDWKRFYCE-UHFFFAOYSA-N
Compound name
[1-(4-methylphenyl)-1-oxopropan-2-yl] 8-methyl-2-phenylquinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

409.1678 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.17508 201.4
[M+Na]+ 432.15702 207.4
[M-H]- 408.16052 210.2
[M+NH4]+ 427.20162 210.5
[M+K]+ 448.13096 201.9
[M+H-H2O]+ 392.16506 189.9
[M+HCOO]- 454.16600 218.4
[M+CH3COO]- 468.18165 228.2
[M+Na-2H]- 430.14247 201.6
[M]+ 409.16725 203.4
[M]- 409.16835 203.4
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.