CID 24212600

853314-14-4

Structural Information

Molecular Formula
C24H23ClN2O3
SMILES
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=C(O3)C4=C(C=CC(=C4)Cl)OC)C#N
InChI
InChI=1S/C24H23ClN2O3/c1-13-16(12-26)22(23-17(27-13)10-24(2,3)11-18(23)28)21-8-7-20(30-21)15-9-14(25)5-6-19(15)29-4/h5-9,22,27H,10-11H2,1-4H3
InChIKey
GBJUDNCSXJSBEV-UHFFFAOYSA-N
Compound name
4-[5-(5-chloro-2-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 203.0
[M+Na]+ 445.12892 216.5
[M-H]- 421.13242 210.1
[M+NH4]+ 440.17352 214.7
[M+K]+ 461.10286 206.1
[M+H-H2O]+ 405.13696 188.8
[M+HCOO]- 467.13790 211.3
[M+CH3COO]- 481.15355 211.4
[M+Na-2H]- 443.11437 200.5
[M]+ 422.13915 201.1
[M]- 422.14025 201.1
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.