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]+ 338.18630 182.7
[M+Na]+ 360.16824 192.3
[M-H]- 336.17174 185.1
[M+NH4]+ 355.21284 193.0
[M+K]+ 376.14218 185.2
[M+H-H2O]+ 320.17628 167.2
[M+HCOO]- 382.17722 190.0
[M+CH3COO]- 396.19287 235.4
[M+Na-2H]- 358.15369 181.2
[M]+ 337.17847 175.6
[M]- 337.17957 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.