CID 9570727

N-(2-butylideneaminooxyethyl)-2-ethoxy-3-methoxybenzamide oxalate

Structural Information

Molecular Formula
C16H24N2O4
SMILES
CC/C(=N/OCCNC(=O)C1=C(C(=CC=C1)OC)OCC)/C
InChI
InChI=1S/C16H24N2O4/c1-5-12(3)18-22-11-10-17-16(19)13-8-7-9-14(20-4)15(13)21-6-2/h7-9H,5-6,10-11H2,1-4H3,(H,17,19)/b18-12+
InChIKey
HSYYJICEMOLZTB-LDADJPATSA-N
Compound name
N-[2-[(E)-butan-2-ylideneamino]oxyethyl]-2-ethoxy-3-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.1736 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.18088 173.8
[M+Na]+ 331.16282 178.6
[M-H]- 307.16632 178.3
[M+NH4]+ 326.20742 188.8
[M+K]+ 347.13676 177.9
[M+H-H2O]+ 291.17086 165.6
[M+HCOO]- 353.17180 198.9
[M+CH3COO]- 367.18745 214.1
[M+Na-2H]- 329.14827 175.6
[M]+ 308.17305 180.3
[M]- 308.17415 180.3
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.