CID 24212728

853328-36-6

Structural Information

Molecular Formula
C24H24N2O2S
SMILES
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=CS3)C4=CC=C(C=C4)OC)C#N
InChI
InChI=1S/C24H24N2O2S/c1-14-18(12-25)22(23-19(26-14)10-24(2,3)11-20(23)27)21-9-16(13-29-21)15-5-7-17(28-4)8-6-15/h5-9,13,22,26H,10-11H2,1-4H3
InChIKey
GTKGXPUDEQAXHX-UHFFFAOYSA-N
Compound name
4-[4-(4-methoxyphenyl)thiophen-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

404.15585 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.16313 204.2
[M+Na]+ 427.14507 216.4
[M-H]- 403.14857 211.0
[M+NH4]+ 422.18967 217.5
[M+K]+ 443.11901 205.9
[M+H-H2O]+ 387.15311 190.4
[M+HCOO]- 449.15405 212.9
[M+CH3COO]- 463.16970 212.1
[M+Na-2H]- 425.13052 200.5
[M]+ 404.15530 200.6
[M]- 404.15640 200.6
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.