CID 24208919

853311-32-7

Structural Information

Molecular Formula
C24H24N2OS
SMILES
CC1=CC=C(C=C1)C2=CSC(=C2)C3C(=C(NC4=C3C(=O)CC(C4)(C)C)C)C#N
InChI
InChI=1S/C24H24N2OS/c1-14-5-7-16(8-6-14)17-9-21(28-13-17)22-18(12-25)15(2)26-19-10-24(3,4)11-20(27)23(19)22/h5-9,13,22,26H,10-11H2,1-4H3
InChIKey
WFYQWGWKZGBWDM-UHFFFAOYSA-N
Compound name
2,7,7-trimethyl-4-[4-(4-methylphenyl)thiophen-2-yl]-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.16095 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.16823 201.4
[M+Na]+ 411.15017 214.0
[M-H]- 387.15367 208.4
[M+NH4]+ 406.19477 215.5
[M+K]+ 427.12411 202.7
[M+H-H2O]+ 371.15821 187.8
[M+HCOO]- 433.15915 210.0
[M+CH3COO]- 447.17480 209.6
[M+Na-2H]- 409.13562 197.5
[M]+ 388.16040 196.6
[M]- 388.16150 196.6
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.