CID 71226339

2-ethoxyethyl (2z)-2-cyano-2-[3-(3-methoxypropylamino)cyclohex-2-en-1-ylidene]acetate

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

108
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 175.2
[M+Na]+ 345.17849 179.7
[M-H]- 321.18199 176.8
[M+NH4]+ 340.22309 187.4
[M+K]+ 361.15243 177.2
[M+H-H2O]+ 305.18653 161.3
[M+HCOO]- 367.18747 191.4
[M+CH3COO]- 381.20312 219.5
[M+Na-2H]- 343.16394 174.9
[M]+ 322.18872 172.4
[M]- 322.18982 172.4
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.