CID 6434420

Brn 1232699

Structural Information

Molecular Formula
C23H25N3O5
SMILES
CC(=O)NC1=CC=C(C=C1)C(=O)N/C(=C/C2=CC=C(C=C2)OC)/C(=O)N3CCOCC3
InChI
InChI=1S/C23H25N3O5/c1-16(27)24-19-7-5-18(6-8-19)22(28)25-21(23(29)26-11-13-31-14-12-26)15-17-3-9-20(30-2)10-4-17/h3-10,15H,11-14H2,1-2H3,(H,24,27)(H,25,28)/b21-15+
InChIKey
FDZMFHAURVSJFH-RCCKNPSSSA-N
Compound name
4-acetamido-N-[(E)-1-(4-methoxyphenyl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

423.1794 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.18668 202.0
[M+Na]+ 446.16862 202.6
[M-H]- 422.17212 209.4
[M+NH4]+ 441.21322 207.1
[M+K]+ 462.14256 200.8
[M+H-H2O]+ 406.17666 190.8
[M+HCOO]- 468.17760 217.8
[M+CH3COO]- 482.19325 230.1
[M+Na-2H]- 444.15407 201.0
[M]+ 423.17885 199.3
[M]- 423.17995 199.3
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.