CID 9570728

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

Structural Information

Molecular Formula
C17H26N2O4
SMILES
CCCOC1=C(C=CC=C1OC)C(=O)NCCO/N=C(\C)/CC
InChI
InChI=1S/C17H26N2O4/c1-5-11-22-16-14(8-7-9-15(16)21-4)17(20)18-10-12-23-19-13(3)6-2/h7-9H,5-6,10-12H2,1-4H3,(H,18,20)/b19-13+
InChIKey
CAAVLCVKRVDPSF-CPNJWEJPSA-N
Compound name
N-[2-[(E)-butan-2-ylideneamino]oxyethyl]-3-methoxy-2-propoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.18927 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.19655 178.4
[M+Na]+ 345.17849 182.7
[M-H]- 321.18199 182.6
[M+NH4]+ 340.22309 192.8
[M+K]+ 361.15243 181.8
[M+H-H2O]+ 305.18653 170.0
[M+HCOO]- 367.18747 203.1
[M+CH3COO]- 381.20312 217.1
[M+Na-2H]- 343.16394 179.7
[M]+ 322.18872 185.2
[M]- 322.18982 185.2
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.