CID 352166

Ethyl 3-(4-chloroanilino)-2-cyanoprop-2-enoate

Structural Information

Molecular Formula
C12H11ClN2O2
SMILES
CCOC(=O)C(=CNC1=CC=C(C=C1)Cl)C#N
InChI
InChI=1S/C12H11ClN2O2/c1-2-17-12(16)9(7-14)8-15-11-5-3-10(13)4-6-11/h3-6,8,15H,2H2,1H3
InChIKey
NTWSIYWETNCLJO-UHFFFAOYSA-N
Compound name
ethyl 3-(4-chloroanilino)-2-cyanoprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.0509 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.05818 157.8
[M+Na]+ 273.04012 167.1
[M-H]- 249.04362 160.8
[M+NH4]+ 268.08472 173.7
[M+K]+ 289.01406 162.3
[M+H-H2O]+ 233.04816 145.8
[M+HCOO]- 295.04910 173.6
[M+CH3COO]- 309.06475 204.9
[M+Na-2H]- 271.02557 160.5
[M]+ 250.05035 155.1
[M]- 250.05145 155.1
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.