CID 6450565

Suam 1384

Structural Information

Molecular Formula
C28H32N2O4
SMILES
C1CCN(C1)C(=O)[C@@H]2CCCN2C(=O)CCCOC3=CC=CC=C3C(=O)/C=C/C4=CC=CC=C4
InChI
InChI=1S/C28H32N2O4/c31-25(17-16-22-10-2-1-3-11-22)23-12-4-5-14-26(23)34-21-9-15-27(32)30-20-8-13-24(30)28(33)29-18-6-7-19-29/h1-5,10-12,14,16-17,24H,6-9,13,15,18-21H2/b17-16+/t24-/m0/s1
InChIKey
NTQXCEJGRCSWAO-JOPBRCQMSA-N
Compound name
4-[2-[(E)-3-phenylprop-2-enoyl]phenoxy]-1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

460.2362 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.24348 214.3
[M+Na]+ 483.22542 222.8
[M+NH4]+ 478.27002 218.7
[M+K]+ 499.19936 220.1
[M-H]- 459.22892 217.9
[M+Na-2H]- 481.21087 219.1
[M]+ 460.23565 216.0
[M]- 460.23675 216.0
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.