CID 3023517

94094-52-7

Structural Information

Molecular Formula
C23H26N2O5
SMILES
CC(=O)NC1=CC(=C(C=C1)O)C(=O)C=CC2=CC=C(C=C2)OCCN3CCOCC3
InChI
InChI=1S/C23H26N2O5/c1-17(26)24-19-5-9-23(28)21(16-19)22(27)8-4-18-2-6-20(7-3-18)30-15-12-25-10-13-29-14-11-25/h2-9,16,28H,10-15H2,1H3,(H,24,26)
InChIKey
RFROWBDDKBXKPH-UHFFFAOYSA-N
Compound name
N-[4-hydroxy-3-[3-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enoyl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.18417 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.191446 199.8
[M+Na]+ 433.173388 201.9
[M-H]- 409.176894 206.0
[M+NH4]+ 428.217993 205.4
[M+K]+ 449.147328 198.5
[M+H-H2O]+ 393.181430 188.8
[M+HCOO]- 455.182371 214.8
[M+CH3COO]- 469.198021 223.9
[M+Na-2H]- 431.158836 199.1
[M]+ 410.18362142 198.3
[M]- 410.18471858 198.3
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.