CID 24212527

853311-51-0

Structural Information

Molecular Formula
C24H23ClN2O3
SMILES
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=C(O3)C4=CC(=C(C=C4)OC)Cl)C#N
InChI
InChI=1S/C24H23ClN2O3/c1-13-15(12-26)22(23-17(27-13)10-24(2,3)11-18(23)28)21-8-7-19(30-21)14-5-6-20(29-4)16(25)9-14/h5-9,22,27H,10-11H2,1-4H3
InChIKey
MRCMWYCVYMJCPA-UHFFFAOYSA-N
Compound name
4-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

422.1397 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.14698 196.0
[M+Na]+ 445.12892 210.7
[M+NH4]+ 440.17352 201.3
[M+K]+ 461.10286 199.5
[M-H]- 421.13242 194.7
[M+Na-2H]- 443.11437 199.7
[M]+ 422.13915 197.5
[M]- 422.14025 197.5
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.