CID 24208916

853311-03-2

Structural Information

Molecular Formula
C24H24N2O3
SMILES
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=C(O3)C4=CC=C(C=C4)OC)C#N
InChI
InChI=1S/C24H24N2O3/c1-14-17(13-25)22(23-18(26-14)11-24(2,3)12-19(23)27)21-10-9-20(29-21)15-5-7-16(28-4)8-6-15/h5-10,22,26H,11-12H2,1-4H3
InChIKey
YJOCDOKNVKOLFW-UHFFFAOYSA-N
Compound name
4-[5-(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

388.17868 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.18596 196.2
[M+Na]+ 411.16790 208.1
[M-H]- 387.17140 203.1
[M+NH4]+ 406.21250 208.0
[M+K]+ 427.14184 199.0
[M+H-H2O]+ 371.17594 181.2
[M+HCOO]- 433.17688 208.6
[M+CH3COO]- 447.19253 204.6
[M+Na-2H]- 409.15335 194.7
[M]+ 388.17813 191.8
[M]- 388.17923 191.8
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.