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]+ 411.19145 199.8
[M+Na]+ 433.17339 201.9
[M-H]- 409.17689 206.0
[M+NH4]+ 428.21799 205.4
[M+K]+ 449.14733 198.5
[M+H-H2O]+ 393.18143 188.8
[M+HCOO]- 455.18237 214.8
[M+CH3COO]- 469.19802 223.9
[M+Na-2H]- 431.15884 199.1
[M]+ 410.18362 198.3
[M]- 410.18472 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.