CID 19672

Propinal

Structural Information

Molecular Formula
C16H25NO3
SMILES
CCCC1=CC(=C(C=C1)OCC(=O)N(CC)CC)OC
InChI
InChI=1S/C16H25NO3/c1-5-8-13-9-10-14(15(11-13)19-4)20-12-16(18)17(6-2)7-3/h9-11H,5-8,12H2,1-4H3
InChIKey
BOORGPJEETYENA-UHFFFAOYSA-N
Compound name
N,N-diethyl-2-(2-methoxy-4-propylphenoxy)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

71
Patents

279.18344 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.19072 168.2
[M+Na]+ 302.17266 173.7
[M-H]- 278.17616 172.7
[M+NH4]+ 297.21726 185.0
[M+K]+ 318.14660 173.0
[M+H-H2O]+ 262.18070 160.7
[M+HCOO]- 324.18164 191.8
[M+CH3COO]- 338.19729 208.4
[M+Na-2H]- 300.15811 169.6
[M]+ 279.18289 174.9
[M]- 279.18399 174.9
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