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]+ 358.212506 188.8
[M+Na]+ 380.194448 190.6
[M-H]- 356.197954 192.5
[M+NH4]+ 375.239053 198.0
[M+K]+ 396.168388 186.5
[M+H-H2O]+ 340.202490 177.5
[M+HCOO]- 402.203431 201.1
[M+CH3COO]- 416.219081 211.4
[M+Na-2H]- 378.179896 184.5
[M]+ 357.20468142 183.8
[M]- 357.20577858 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.