CID 86672

18178-47-7

Structural Information

Molecular Formula
C26H28N4O2
SMILES
CC1CC(N(C2=C1C=C(C(=C2)C)C=C(C#N)C#N)CCOC(=O)NC3=CC=CC=C3)(C)C
InChI
InChI=1S/C26H28N4O2/c1-18-12-24-23(14-21(18)13-20(16-27)17-28)19(2)15-26(3,4)30(24)10-11-32-25(31)29-22-8-6-5-7-9-22/h5-9,12-14,19H,10-11,15H2,1-4H3,(H,29,31)
InChIKey
MBGQLEMLPRDFQM-UHFFFAOYSA-N
Compound name
2-[6-(2,2-dicyanoethenyl)-2,2,4,7-tetramethyl-3,4-dihydroquinolin-1-yl]ethyl N-phenylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

428.22122 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.22850 214.1
[M+Na]+ 451.21044 222.3
[M+NH4]+ 446.25504 214.0
[M+K]+ 467.18438 209.3
[M-H]- 427.21394 205.1
[M+Na-2H]- 449.19589 212.4
[M]+ 428.22067 211.5
[M]- 428.22177 211.5
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

patents stripe