CID 9574261

4etophcon2 4acn

Structural Information

Molecular Formula
C18H19N3O3
SMILES
CCOC1=CC=C(C=C1)C(=O)N/N=C/C2=CC=C(C=C2)NC(=O)C
InChI
InChI=1S/C18H19N3O3/c1-3-24-17-10-6-15(7-11-17)18(23)21-19-12-14-4-8-16(9-5-14)20-13(2)22/h4-12H,3H2,1-2H3,(H,20,22)(H,21,23)/b19-12+
InChIKey
YESDYUDEUDNBOB-XDHOZWIPSA-N
Compound name
N-[(E)-(4-acetamidophenyl)methylideneamino]-4-ethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.14264 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.14992 176.7
[M+Na]+ 348.13186 181.3
[M-H]- 324.13536 184.4
[M+NH4]+ 343.17646 190.1
[M+K]+ 364.10580 178.5
[M+H-H2O]+ 308.13990 167.2
[M+HCOO]- 370.14084 203.4
[M+CH3COO]- 384.15649 217.5
[M+Na-2H]- 346.11731 180.4
[M]+ 325.14209 178.2
[M]- 325.14319 178.2
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.