CID 112672

1(2h)-quinolinepropanamide, 6-(2,2-dicyanoethenyl)-3,4-dihydro-2,2,4,7-tetramethyl-n-phenyl-

Structural Information

Molecular Formula
C26H28N4O
SMILES
CC1CC(N(C2=C1C=C(C(=C2)C)C=C(C#N)C#N)CCC(=O)NC3=CC=CC=C3)(C)C
InChI
InChI=1S/C26H28N4O/c1-18-12-24-23(14-21(18)13-20(16-27)17-28)19(2)15-26(3,4)30(24)11-10-25(31)29-22-8-6-5-7-9-22/h5-9,12-14,19H,10-11,15H2,1-4H3,(H,29,31)
InChIKey
XVNWAOFEDOSRQS-UHFFFAOYSA-N
Compound name
3-[6-(2,2-dicyanoethenyl)-2,2,4,7-tetramethyl-3,4-dihydroquinolin-1-yl]-N-phenylpropanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

412.22632 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.23360 212.3
[M+Na]+ 435.21554 220.8
[M+NH4]+ 430.26014 212.6
[M+K]+ 451.18948 207.6
[M-H]- 411.21904 203.6
[M+Na-2H]- 433.20099 211.0
[M]+ 412.22577 209.9
[M]- 412.22687 209.9
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.