CID 112181

((1-(2-acetoxyethyl)-1,2,3,4-tetrahydro-2,2,4-trimethyl-6-quinolinyl)methylene)malononitrile

Structural Information

Molecular Formula
C20H23N3O2
SMILES
CC1CC(N(C2=C1C=C(C=C2)C=C(C#N)C#N)CCOC(=O)C)(C)C
InChI
InChI=1S/C20H23N3O2/c1-14-11-20(3,4)23(7-8-25-15(2)24)19-6-5-16(10-18(14)19)9-17(12-21)13-22/h5-6,9-10,14H,7-8,11H2,1-4H3
InChIKey
AJZHCUYPQMCHFW-UHFFFAOYSA-N
Compound name
2-[6-(2,2-dicyanoethenyl)-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]ethyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.17902 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.186296 182.7
[M+Na]+ 360.168238 192.3
[M-H]- 336.171744 185.1
[M+NH4]+ 355.212843 193.0
[M+K]+ 376.142178 185.2
[M+H-H2O]+ 320.176280 167.2
[M+HCOO]- 382.177221 190.0
[M+CH3COO]- 396.192871 235.4
[M+Na-2H]- 358.153686 181.2
[M]+ 337.17847142 175.6
[M]- 337.17956858 175.6
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.