CID 2393891

2-(2-ethoxy-4-formylphenoxy)-n,n-bis(propan-2-yl)acetamide

Structural Information

Molecular Formula
C17H25NO4
SMILES
CCOC1=C(C=CC(=C1)C=O)OCC(=O)N(C(C)C)C(C)C
InChI
InChI=1S/C17H25NO4/c1-6-21-16-9-14(10-19)7-8-15(16)22-11-17(20)18(12(2)3)13(4)5/h7-10,12-13H,6,11H2,1-5H3
InChIKey
AXMKZWHSCUGAOC-UHFFFAOYSA-N
Compound name
2-(2-ethoxy-4-formylphenoxy)-N,N-di(propan-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.17834 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.18562 173.9
[M+Na]+ 330.16756 178.7
[M-H]- 306.17106 178.4
[M+NH4]+ 325.21216 189.2
[M+K]+ 346.14150 178.8
[M+H-H2O]+ 290.17560 166.4
[M+HCOO]- 352.17654 195.6
[M+CH3COO]- 366.19219 214.4
[M+Na-2H]- 328.15301 172.5
[M]+ 307.17779 180.4
[M]- 307.17889 180.4
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.