CID 6884396

4etophcon2 pipe

Structural Information

Molecular Formula
C17H16N2O4
SMILES
CCOC1=CC=C(C=C1)C(=O)N/N=C/C2=CC3=C(C=C2)OCO3
InChI
InChI=1S/C17H16N2O4/c1-2-21-14-6-4-13(5-7-14)17(20)19-18-10-12-3-8-15-16(9-12)23-11-22-15/h3-10H,2,11H2,1H3,(H,19,20)/b18-10+
InChIKey
IHNBAKPYTKNJGJ-VCHYOVAHSA-N
Compound name
N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-4-ethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.111 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.11828 171.4
[M+Na]+ 335.10022 177.7
[M-H]- 311.10372 181.5
[M+NH4]+ 330.14482 185.8
[M+K]+ 351.07416 177.1
[M+H-H2O]+ 295.10826 163.3
[M+HCOO]- 357.10920 195.7
[M+CH3COO]- 371.12485 210.3
[M+Na-2H]- 333.08567 177.6
[M]+ 312.11045 175.6
[M]- 312.11155 175.6
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.