CID 6446441

Einecs 211-233-4

Structural Information

Molecular Formula
C22H29NO5
SMILES
CCC(C)C(C1=CC=CC=C1)C(=O)OC(=O)/C=C/C(=O)OC2CCN(CC2)C
InChI
InChI=1S/C22H29NO5/c1-4-16(2)21(17-8-6-5-7-9-17)22(26)28-20(25)11-10-19(24)27-18-12-14-23(3)15-13-18/h5-11,16,18,21H,4,12-15H2,1-3H3/b11-10+
InChIKey
NSUBNYZSJGLUCC-ZHACJKMWSA-N
Compound name
4-O-(3-methyl-2-phenylpentanoyl) 1-O-(1-methylpiperidin-4-yl) (E)-but-2-enedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.20456 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.21184 192.4
[M+Na]+ 410.19378 200.0
[M+NH4]+ 405.23838 196.0
[M+K]+ 426.16772 196.2
[M-H]- 386.19728 192.2
[M+Na-2H]- 408.17923 194.5
[M]+ 387.20401 192.8
[M]- 387.20511 192.8
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.