CID 129318530

2731368-99-1

Structural Information

Molecular Formula
C16H26N2O4
SMILES
CCCOC1=C(C=C(C=C1)C(=O)OCC[N+](CC)(CC)[O-])N
InChI
InChI=1S/C16H26N2O4/c1-4-10-21-15-8-7-13(12-14(15)17)16(19)22-11-9-18(20,5-2)6-3/h7-8,12H,4-6,9-11,17H2,1-3H3
InChIKey
GGZYMHLVWIPXOF-UHFFFAOYSA-N
Compound name
2-(3-amino-4-propoxybenzoyl)oxy-N,N-diethylethanamine oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.18927 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.19655 173.0
[M+Na]+ 333.17849 183.2
[M+NH4]+ 328.22309 179.0
[M+K]+ 349.15243 180.0
[M-H]- 309.18199 175.2
[M+Na-2H]- 331.16394 176.7
[M]+ 310.18872 174.9
[M]- 310.18982 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

No patent data available for this compound.