CID 4276950

476483-26-8

Structural Information

Molecular Formula
C26H28FN3OS2
SMILES
CCC1=CC(=C(S1)SCC)C2C(=C(N(C3=C2C(=O)CC(C3)(C)C)C4=CC=C(C=C4)F)N)C#N
InChI
InChI=1S/C26H28FN3OS2/c1-5-17-11-18(25(33-17)32-6-2)22-19(14-28)24(29)30(16-9-7-15(27)8-10-16)20-12-26(3,4)13-21(31)23(20)22/h7-11,22H,5-6,12-13,29H2,1-4H3
InChIKey
RRYPKRMQLWUHTR-UHFFFAOYSA-N
Compound name
2-amino-4-(5-ethyl-2-ethylsulfanylthiophen-3-yl)-1-(4-fluorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

481.16577 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 482.17305 201.1
[M+Na]+ 504.15499 212.5
[M+NH4]+ 499.19959 206.3
[M+K]+ 520.12893 198.2
[M-H]- 480.15849 198.4
[M+Na-2H]- 502.14044 204.6
[M]+ 481.16522 202.2
[M]- 481.16632 202.2
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.