CID 86672

Einecs 242-067-0

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 207.5
[M+Na]+ 451.21044 216.4
[M-H]- 427.21394 210.4
[M+NH4]+ 446.25504 214.5
[M+K]+ 467.18438 207.0
[M+H-H2O]+ 411.21848 190.3
[M+HCOO]- 473.21942 214.4
[M+CH3COO]- 487.23507 247.7
[M+Na-2H]- 449.19589 204.3
[M]+ 428.22067 199.2
[M]- 428.22177 199.2
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