CID 56843056

85455-51-2

Structural Information

Molecular Formula
C26H28N4O2
SMILES
CC1=C(C=CC(=C1)N(CCOC(=O)NC2=CC=CC=C2)C3CCCCC3)C=C(C#N)C#N
InChI
InChI=1S/C26H28N4O2/c1-20-16-25(13-12-22(20)17-21(18-27)19-28)30(24-10-6-3-7-11-24)14-15-32-26(31)29-23-8-4-2-5-9-23/h2,4-5,8-9,12-13,16-17,24H,3,6-7,10-11,14-15H2,1H3,(H,29,31)
InChIKey
WEIWQJRQSLNRJV-UHFFFAOYSA-N
Compound name
2-[N-cyclohexyl-4-(2,2-dicyanoethenyl)-3-methylanilino]ethyl N-phenylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

428.22122 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.22850 210.3
[M+Na]+ 451.21044 215.6
[M-H]- 427.21394 214.7
[M+NH4]+ 446.25504 215.3
[M+K]+ 467.18438 207.5
[M+H-H2O]+ 411.21848 191.9
[M+HCOO]- 473.21942 218.8
[M+CH3COO]- 487.23507 248.4
[M+Na-2H]- 449.19589 205.9
[M]+ 428.22067 199.0
[M]- 428.22177 199.0
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.