CID 6434420

Benzamide, 4-(acetylamino)-n-(2-(4-methoxyphenyl)-1-(4-morpholinylcarbonyl)ethenyl)-, (e)-

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]+ 424.186676 202.0
[M+Na]+ 446.168618 202.6
[M-H]- 422.172124 209.4
[M+NH4]+ 441.213223 207.1
[M+K]+ 462.142558 200.8
[M+H-H2O]+ 406.176660 190.8
[M+HCOO]- 468.177601 217.8
[M+CH3COO]- 482.193251 230.1
[M+Na-2H]- 444.154066 201.0
[M]+ 423.17885142 199.3
[M]- 423.17994858 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.