CID 13260386

88052-55-5

Structural Information

Molecular Formula
C21H29N3O4
SMILES
COC1=C(C=C(C=C1)/C=C/C(=O)N2CCN(CC2)CC(=O)N3CCCC3)OC
InChI
InChI=1S/C21H29N3O4/c1-27-18-7-5-17(15-19(18)28-2)6-8-20(25)24-13-11-22(12-14-24)16-21(26)23-9-3-4-10-23/h5-8,15H,3-4,9-14,16H2,1-2H3/b8-6+
InChIKey
YHSIDCGMUPGFRR-SOFGYWHQSA-N
Compound name
(E)-3-(3,4-dimethoxyphenyl)-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

387.21582 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.22310 195.4
[M+Na]+ 410.20504 197.6
[M-H]- 386.20854 199.5
[M+NH4]+ 405.24964 203.6
[M+K]+ 426.17898 193.9
[M+H-H2O]+ 370.21308 184.3
[M+HCOO]- 432.21402 207.6
[M+CH3COO]- 446.22967 217.7
[M+Na-2H]- 408.19049 190.3
[M]+ 387.21527 192.7
[M]- 387.21637 192.7
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.