CID 71226339

1419401-88-9

Structural Information

Molecular Formula
C17H26N2O4
SMILES
CCOCCOC(=O)/C(=C\1/CCCC(=C1)NCCCOC)/C#N
InChI
InChI=1S/C17H26N2O4/c1-3-22-10-11-23-17(20)16(13-18)14-6-4-7-15(12-14)19-8-5-9-21-2/h12,19H,3-11H2,1-2H3/b16-14-
InChIKey
NPNDSRGIZUPLNP-PEZBUJJGSA-N
Compound name
2-ethoxyethyl (2Z)-2-cyano-2-[3-(3-methoxypropylamino)cyclohex-2-en-1-ylidene]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

152
Patents

322.18927 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.19655 178.2
[M+Na]+ 345.17849 184.9
[M+NH4]+ 340.22309 179.7
[M+K]+ 361.15243 176.6
[M-H]- 321.18199 170.8
[M+Na-2H]- 343.16394 177.2
[M]+ 322.18872 175.7
[M]- 322.18982 175.7
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