CID 24212587

853313-63-0

Structural Information

Molecular Formula
C24H24BrNO4
SMILES
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=C(O3)C4=CC=CC=C4Br)C(=O)OC
InChI
InChI=1S/C24H24BrNO4/c1-13-20(23(28)29-4)22(21-16(26-13)11-24(2,3)12-17(21)27)19-10-9-18(30-19)14-7-5-6-8-15(14)25/h5-10,22,26H,11-12H2,1-4H3
InChIKey
QOYQLXNFBRBMEM-UHFFFAOYSA-N
Compound name
methyl 4-[5-(2-bromophenyl)furan-2-yl]-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

469.08887 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 470.09615 207.0
[M+Na]+ 492.07809 217.5
[M-H]- 468.08159 218.2
[M+NH4]+ 487.12269 220.8
[M+K]+ 508.05203 206.4
[M+H-H2O]+ 452.08613 205.4
[M+HCOO]- 514.08707 219.5
[M+CH3COO]- 528.10272 229.0
[M+Na-2H]- 490.06354 205.6
[M]+ 469.08832 226.7
[M]- 469.08942 226.7
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.