CID 13260394

88052-61-3

Structural Information

Molecular Formula
C20H27N3O3
SMILES
COC1=CC=CC=C1/C=C/C(=O)N2CCN(CC2)CC(=O)N3CCCC3
InChI
InChI=1S/C20H27N3O3/c1-26-18-7-3-2-6-17(18)8-9-19(24)23-14-12-21(13-15-23)16-20(25)22-10-4-5-11-22/h2-3,6-9H,4-5,10-16H2,1H3/b9-8+
InChIKey
QFOKBQRUFZFVJY-CMDGGOBGSA-N
Compound name
(E)-3-(2-methoxyphenyl)-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.20523 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.21251 188.8
[M+Na]+ 380.19445 190.6
[M-H]- 356.19795 192.5
[M+NH4]+ 375.23905 198.0
[M+K]+ 396.16839 186.5
[M+H-H2O]+ 340.20249 177.5
[M+HCOO]- 402.20343 201.1
[M+CH3COO]- 416.21908 211.4
[M+Na-2H]- 378.17990 184.5
[M]+ 357.20468 183.8
[M]- 357.20578 183.8
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.