CID 21120070

30165-79-8

Structural Information

Molecular Formula
C23H23N3O2
SMILES
CC1=C(C=CC(=C1)N(CCC2=CC=CC=C2)CCC(=O)OC)C=C(C#N)C#N
InChI
InChI=1S/C23H23N3O2/c1-18-14-22(9-8-21(18)15-20(16-24)17-25)26(13-11-23(27)28-2)12-10-19-6-4-3-5-7-19/h3-9,14-15H,10-13H2,1-2H3
InChIKey
CKVFZBMKRBUULD-UHFFFAOYSA-N
Compound name
methyl 3-[4-(2,2-dicyanoethenyl)-3-methyl-N-(2-phenylethyl)anilino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.17902 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.18630 198.4
[M+Na]+ 396.16824 205.8
[M-H]- 372.17174 202.5
[M+NH4]+ 391.21284 205.8
[M+K]+ 412.14218 199.6
[M+H-H2O]+ 356.17628 180.7
[M+HCOO]- 418.17722 209.2
[M+CH3COO]- 432.19287 241.9
[M+Na-2H]- 394.15369 195.2
[M]+ 373.17847 191.6
[M]- 373.17957 191.6
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.