CID 81189

6684-20-4

Structural Information

Molecular Formula
C22H21N3O2
SMILES
CCN(CCOC(=O)C1=CC=CC=C1)C2=CC(=C(C=C2)C=C(C#N)C#N)C
InChI
InChI=1S/C22H21N3O2/c1-3-25(11-12-27-22(26)19-7-5-4-6-8-19)21-10-9-20(17(2)13-21)14-18(15-23)16-24/h4-10,13-14H,3,11-12H2,1-2H3
InChIKey
WKTUAHDEZZJAIH-UHFFFAOYSA-N
Compound name
2-[4-(2,2-dicyanoethenyl)-N-ethyl-3-methylanilino]ethyl benzoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

359.1634 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.17068 203.2
[M+Na]+ 382.15262 211.4
[M+NH4]+ 377.19722 202.7
[M+K]+ 398.12656 199.8
[M-H]- 358.15612 194.5
[M+Na-2H]- 380.13807 202.3
[M]+ 359.16285 200.6
[M]- 359.16395 200.6
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.