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 206.0
[M+Na]+ 435.21554 215.1
[M-H]- 411.21904 208.9
[M+NH4]+ 430.26014 213.5
[M+K]+ 451.18948 205.0
[M+H-H2O]+ 395.22358 188.8
[M+HCOO]- 457.22452 212.8
[M+CH3COO]- 471.24017 246.7
[M+Na-2H]- 433.20099 202.6
[M]+ 412.22577 196.9
[M]- 412.22687 196.9
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.