CID 5279466

Schembl5895704

Structural Information

Molecular Formula
C23H25NO4
SMILES
C1CCC(C1)CCC(=O)N/C(=C\C2=CC=C(C=C2)OC3=CC=CC=C3)/C(=O)O
InChI
InChI=1S/C23H25NO4/c25-22(15-12-17-6-4-5-7-17)24-21(23(26)27)16-18-10-13-20(14-11-18)28-19-8-2-1-3-9-19/h1-3,8-11,13-14,16-17H,4-7,12,15H2,(H,24,25)(H,26,27)/b21-16-
InChIKey
VLIBWMNRZNUENI-PGMHBOJBSA-N
Compound name
(Z)-2-(3-cyclopentylpropanoylamino)-3-(4-phenoxyphenyl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

379.17834 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.18562 192.5
[M+Na]+ 402.16756 193.4
[M-H]- 378.17106 199.4
[M+NH4]+ 397.21216 203.6
[M+K]+ 418.14150 188.9
[M+H-H2O]+ 362.17560 183.4
[M+HCOO]- 424.17654 210.9
[M+CH3COO]- 438.19219 216.2
[M+Na-2H]- 400.15301 189.6
[M]+ 379.17779 189.3
[M]- 379.17889 189.3
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.