CID 217145

38160-22-4

Structural Information

Molecular Formula
C19H27N3O4
SMILES
CCOC1=C(C=C(C=C1)N2CC(CC2=O)C(=O)N3CCNCC3)OCC
InChI
InChI=1S/C19H27N3O4/c1-3-25-16-6-5-15(12-17(16)26-4-2)22-13-14(11-18(22)23)19(24)21-9-7-20-8-10-21/h5-6,12,14,20H,3-4,7-11,13H2,1-2H3
InChIKey
OJDYAGXNBWWDCU-UHFFFAOYSA-N
Compound name
1-(3,4-diethoxyphenyl)-4-(piperazine-1-carbonyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.20016 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.20744 188.1
[M+Na]+ 384.18938 191.5
[M-H]- 360.19288 191.3
[M+NH4]+ 379.23398 197.0
[M+K]+ 400.16332 187.5
[M+H-H2O]+ 344.19742 177.6
[M+HCOO]- 406.19836 200.2
[M+CH3COO]- 420.21401 211.9
[M+Na-2H]- 382.17483 183.9
[M]+ 361.19961 184.7
[M]- 361.20071 184.7
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.