CID 9574928

N-(1-aza-4-phenylbuta-1,3-dienyl)-2-[4-(acetylamino)phenoxy]acetamide

Structural Information

Molecular Formula
C19H19N3O3
SMILES
CC(=O)NC1=CC=C(C=C1)OCC(=O)N/N=C/C=C/C2=CC=CC=C2
InChI
InChI=1S/C19H19N3O3/c1-15(23)21-17-9-11-18(12-10-17)25-14-19(24)22-20-13-5-8-16-6-3-2-4-7-16/h2-13H,14H2,1H3,(H,21,23)(H,22,24)/b8-5+,20-13+
InChIKey
OKIHCYDWQXZTBT-IYYWNBDZSA-N
Compound name
2-(4-acetamidophenoxy)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.14264 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.14992 180.0
[M+Na]+ 360.13186 183.6
[M-H]- 336.13536 187.2
[M+NH4]+ 355.17646 192.5
[M+K]+ 376.10580 179.9
[M+H-H2O]+ 320.13990 170.1
[M+HCOO]- 382.14084 206.6
[M+CH3COO]- 396.15649 217.9
[M+Na-2H]- 358.11731 184.0
[M]+ 337.14209 180.7
[M]- 337.14319 180.7
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.